Accurate ab initio vibrational energies of methyl chloride
Owens, Alec; Yurchenko, Sergei N.; Yachmenev, Andrey; Tennyson, Jonathan; Thiel, Walter
2015-06-28
Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level ab initio theory for the two main isotopologues of methyl chloride, CH{sub 3}{sup 35}Cl and CH{sub 3}{sup 37}Cl. The respective PESs, CBS-35{sup HL}, and CBS-37{sup HL}, are based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set (CBS) limit, and incorporate a range of higher-level (HL) additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, scalar relativistic effects, and diagonal Born-Oppenheimer corrections. Variational calculations of the vibrational energy levels were performed using the computer program TROVE, whose functionality has been extended to handle molecules of the form XY {sub 3}Z. Fully converged energies were obtained by means of a complete vibrational basis set extrapolation. The CBS-35{sup HL} and CBS-37{sup HL} PESs reproduce the fundamental term values with root-mean-square errors of 0.75 and 1.00 cm{sup −1}, respectively. An analysis of the combined effect of the HL corrections and CBS extrapolation on the vibrational wavenumbers indicates that both are needed to compute accurate theoretical results for methyl chloride. We believe that it would be extremely challenging to go beyond the accuracy currently achieved for CH{sub 3}Cl without empirical refinement of the respective PESs.
NASA Technical Reports Server (NTRS)
Holliday, Ezekiel S. (Inventor)
2014-01-01
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.
Accurate fundamental parameters for 23 bright solar-type stars
NASA Astrophysics Data System (ADS)
Bruntt, H.; Bedding, T. R.; Quirion, P.-O.; Lo Curto, G.; Carrier, F.; Smalley, B.; Dall, T. H.; Arentoft, T.; Bazot, M.; Butler, R. P.
2010-07-01
We combine results from interferometry, asteroseismology and spectroscopy to determine accurate fundamental parameters of 23 bright solar-type stars, from spectral type F5 to K2 and luminosity classes III-V. For some stars we can use direct techniques to determine the mass, radius, luminosity and effective temperature, and we compare with indirect methods that rely on photometric calibrations or spectroscopic analyses. We use the asteroseismic information available in the literature to infer an indirect mass with an accuracy of 4-15 per cent. From indirect methods we determine luminosity and radius to 3 per cent. We find evidence that the luminosity from the indirect method is slightly overestimated (~ 5 per cent) for the coolest stars, indicating that their bolometric corrections (BCs) are too negative. For Teff we find a slight offset of -40 +/- 20K between the spectroscopic method and the direct method, meaning the spectroscopic temperatures are too high. From the spectroscopic analysis we determine the detailed chemical composition for 13 elements, including Li, C and O. The metallicity ranges from [Fe/H] = -1.7 to +0.4, and there is clear evidence for α-element enhancement in the metal-poor stars. We find no significant offset between the spectroscopic surface gravity and the value from combining asteroseismology with radius estimates. From the spectroscopy we also determine v sin i and we present a new calibration of macroturbulence and microturbulence. From the comparison between the results from the direct and spectroscopic methods we claim that we can determine Teff, log g and [Fe/H] with absolute accuracies of 80K, 0.08 and 0.07dex. Photometric calibrations of Strömgren indices provide accurate results for Teff and [Fe/H] but will be more uncertain for distant stars when interstellar reddening becomes important. The indirect methods are important to obtain reliable estimates of the fundamental parameters of relatively faint stars when interferometry
An Accurate Quartic Force Field and Vibrational Frequencies for HNO and DNO
NASA Technical Reports Server (NTRS)
Dateo, Christopher E.; Lee, Timothy J.; Schwenke, David W.
1994-01-01
An accurate ab initio quartic force field for HNO has been determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T), in conjunction with the correlation consistent polarized valence triple zeta (cc-pVTZ) basis set. Improved harmonic frequencies were determined with the cc-pVQZ basis set. Fundamental vibrational frequencies were determined using a second-order perturbation theory analysis and also using variational calculations. The N-0 stretch and bending fundamentals are determined well from both vibrational analyses. The H-N stretch, however, is shown to have an unusually large anharmonic correction, and is not well determined using second-order perturbation theory. The H-N fundamental is well determined from the variational calculations, demonstrating the quality of the ab initio quartic force field. The zero-point energy of HNO that should be used in isodesmic reactions is also discussed.
An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Martin, Jan M. L.; Taylor, Peter R.
1995-01-01
A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.
Ab Initio Potential Energy Surfaces and the Calculation of Accurate Vibrational Frequencies
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Dateo, Christopher E.; Martin, Jan M. L.; Taylor, Peter R.; Langhoff, Stephen R. (Technical Monitor)
1995-01-01
Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within plus or minus 8 cm(exp -1) on average, and molecular bond distances are accurate to within plus or minus 0.001-0.003 Angstroms, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as vibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy will be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.
Fundamental vibrational transitions of hydrogen chloride detected in CRL 2136
NASA Astrophysics Data System (ADS)
Goto, M.; Usuda, T.; Geballe, T. R.; Menten, K. M.; Indriolo, N.; Neufeld, D. A.
2013-10-01
Aims: We would like to understand the chemistry of dense clouds and their hot cores more quantitatively by obtaining more complete knowledge of the chemical species present in them. Methods: We have obtained high-resolution infrared absorption spectroscopy at 3-4 μm toward the bright infrared source CRL 2136. Results: The fundamental vibration-rotation band of HCl has been detected within a dense cloud for the first time. The HCl is probably located in the warm compact circumstellar envelope or disk of CRL 2136. The fractional abundance of HCl is (4.9-8.7) × 10-8, indicating that approximately 20% of the elemental chlorine is in gaseous HCl. The kinetic temperature of the absorbing gas is 250 K, half the value determined from infrared spectroscopy of 13CO and H2O. The percentage of chlorine in HCl is approximately that expected for gas at this temperature. The reason for the difference in temperatures between the various molecular species is unknown. Based on data collected in CRIRES open-time program [289.C-5042] at the VLT on Cerro Paranal (Chile), which is operated by the European Southern Observatory (ESO).Based on data collected in IRCS program [S12A-075] at Subaru Telescope on Mauna Kea, Hawaii, operated by the National Astronomical Observatory of Japan (NAOJ).Tables 1 and 2 are available in electronic form at http://www.aanda.org
NASA Technical Reports Server (NTRS)
Inostroza, Natalia; Fortenberry, Ryan C.; Huang, Xinchuan; Lee, Timothy J.
2013-01-01
Through established, highly-accurate ab initio quartic force fields (QFFs), a complete set of fundamental vibrational frequencies, rotational constants, and rovibrational coupling and centrifugal distortion constants have been determined for both the cyclic 1(sup 1) 1A' and bent 2(sup 1)A' DCCN, H(C13)CCN, HC(C-13)N, and HCC(N-15) isotopologues of HCCN. Spectroscopic constants are computed for all isotopologues using second-order vibrational perturbation theory (VPT2), and the fundamental vibrational frequencies are computed with VPT2 and vibrational configuration interaction (VCI) theory. Agreement between VPT2 and VCI results is quite good with the fundamental vibrational frequencies of the bent isomer isotopologues in accord to within a 0.1 to 3.2 / cm range. Similar accuracies are present for the cyclic isomer isotopologues. The data generated here serve as a reference for astronomical observations of these closed-shell, highly-dipolar molecules using new, high-resolution telescopes and as reference for laboratory studies where isotopic labeling may lead to elucidation of the formation mechanism for the known interstellar molecule: X 3A0 HCCN.
Inostroza, Natalia; Fortenberry, Ryan C.; Lee, Timothy J.; Huang, Xinchuan
2013-12-01
Through established, highly accurate ab initio quartic force fields, a complete set of fundamental vibrational frequencies, rotational constants, and rovibrational coupling and centrifugal distortion constants have been determined for both the cyclic 1 {sup 1} A' and bent 2 {sup 1} A' DCCN, H{sup 13}CCN, HC{sup 13}CN, and HCC{sup 15}N isotopologues of HCCN. Spectroscopic constants are computed for all isotopologues using second-order vibrational perturbation theory (VPT2), and the fundamental vibrational frequencies are computed with VPT2 and vibrational configuration interaction (VCI) theory. Agreement between VPT2 and VCI results is quite good, with the fundamental vibrational frequencies of the bent isomer isotopologues in accord to within a 0.1-3.2 cm{sup –1} range. Similar accuracies are present for the cyclic isomer isotopologues. The data generated here serve as a reference for astronomical observations of these closed-shell, highly dipolar molecules using new, high-resolution telescopes and as reference for laboratory studies where isotopic labeling may lead to elucidation of the formation mechanism for the known interstellar molecule: X {sup 3} A' HCCN.
NASA Technical Reports Server (NTRS)
Huang, Xinchuan; Taylor, Peter R.; Lee, Timothy J.
2011-01-01
High levels of theory have been used to compute quartic force fields (QFFs) for the cyclic and linear forms of the C H + molecular cation, referred to as c-C H + and I-C H +. Specifically the 33 3333 singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, CCSD(T), has been used in conjunction with extrapolation to the one-particle basis set limit and corrections for scalar relativity and core correlation have been included. The QFFs have been used to compute highly accurate fundamental vibrational frequencies and other spectroscopic constants using both vibrational 2nd-order perturbation theory and variational methods to solve the nuclear Schroedinger equation. Agreement between our best computed fundamental vibrational frequencies and recent infrared photodissociation experiments is reasonable for most bands, but there are a few exceptions. Possible sources for the discrepancies are discussed. We determine the energy difference between the cyclic and linear forms of C H +, 33 obtaining 27.9 kcal/mol at 0 K, which should be the most reliable available. It is expected that the fundamental vibrational frequencies and spectroscopic constants presented here for c-C H + 33 and I-C H + are the most reliable available for the free gas-phase species and it is hoped that 33 these will be useful in the assignment of future high-resolution laboratory experiments or astronomical observations.
NASA Astrophysics Data System (ADS)
Bačić, Z.
1991-09-01
We show that the triatomic adiabatic vibrational eigenstates (AVES) provide a convenient basis for accurate discrete variable representation (DVR) calculation and automatic assignment of highly excited, large amplitude motion vibrational states of floppy triatomic molecules. The DVR-AVES states are eigenvectors of the diagonal (in the stretch states) blocks of the adiabatically rearranged triatomic DVR-ray eigenvector (DVR-REV) Hamiltonian [J. C. Light and Z. Bačić, J. Chem. Phys. 87, 4008 (1987)]. The transformation of the full triatomic vibrational Hamiltonian from the DVR-REV basis to the new DVR-AVES basis is simple, and does not involve calculation of any new matrix elements. No dynamical approximation is made in the energy level calculation by the DVR-AVES approach; its accuracy and efficiency are identical to those of the DVR-REV method. The DVR-AVES states, as the adiabatic approximation to the vibrational states of a triatomic molecule, are labeled by three vibrational quantum numbers. Consequently, accurate large amplitude motion vibrational levels obtained by diagonalizing the full vibrational Hamiltonian transformed to the DVR-AVES basis, can be assigned automatically by the code, with the three quantum numbers of the dominant DVR-AVES state associated with the largest (by modulus) eigenvector element in the DVR-AVES basis. The DVR-AVES approach is used to calculate accurate highly excited localized and delocalized vibrational levels of HCN/HNC and LiCN/LiNC. A significant fraction of localized states of both systems, below and above the isomerization barrier, is assigned automatically, without inspection of wave function plots or separate approximate calculations.
Prediction of absolute infrared intensities for the fundamental vibrations of H2O2
NASA Technical Reports Server (NTRS)
Rogers, J. D.; Hillman, J. J.
1981-01-01
Absolute infrared intensities are predicted for the vibrational bands of gas-phase H2O2 by the use of a hydrogen atomic polar tensor transferred from the hydroxyl hydrogen atom of CH3OH. These predicted intensities are compared with intensities predicted by the use of a hydrogen atomic polar tensor transferred from H2O. The predicted relative intensities agree well with published spectra of gas-phase H2O2, and the predicted absolute intensities are expected to be accurate to within at least a factor of two. Among the vibrational degrees of freedom, the antisymmetric O-H bending mode nu(6) is found to be the strongest with a calculated intensity of 60.5 km/mole. The torsional band, a consequence of hindered rotation, is found to be the most intense fundamental with a predicted intensity of 120 km/mole. These results are compared with the recent absolute intensity determinations for the nu(6) band.
Diborane, dialane, and digallane: Accurate geometries and vibrational frequencies
Magers, D.H.; Hood, R.B.; Leszczynski, J.
1994-12-31
Optimum equilibrium geometries, harmonic vibrational frequencies, and infrared intensities within the double harmonic approximation are computed for diborane, B{sub 2}H{sub 6}, dialane, Al{sub 2}H{sub 6}, and digallane, Ga{sub 2}H{sub 6}, at both the SCF level of theory and the second-order perturbation theory [E(2)] using three large basis sets: 6-311G(d,p), 6-311G(2d,2p), and 6-311G(2df,2p). In particular, the results obtained with the latter basis set make this present work the first study to include f-type polarization functions in a systematic investigation of the molecular structure and properties of all three molecules in the series. Because of the good agreement of the present theoretical results with experimental data and with previous theoretical studies which employed a higher treatment of electron correlation, this study serves to show that large basis sets can in part compensate for the lack of a more advanced treatment of electron correlation in these electron-deficient systems. In addition, this study establishes the level of basis set needed for future work on these systems including a thorough description of the total electronic density at a correlated level.
Perspective: Accurate ro-vibrational calculations on small molecules
NASA Astrophysics Data System (ADS)
Tennyson, Jonathan
2016-09-01
In what has been described as the fourth age of quantum chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of high accuracy demanded by comparison with spectroscopy. In this perspective, I will discuss the current state-of-the-art which, for example, shows that these calculations are increasingly competitive with measurements or, indeed, replacing them and thus becoming the primary source of data on key processes. To achieve this accuracy ab initio requires consideration of small effects, routinely ignored in standard calculations, such as those due to quantum electrodynamics. Variational calculations are being used to generate huge lists of transitions which provide the input for models of radiative transport through hot atmospheres and to fill in or even replace measured transition intensities. Future prospects such as the study of molecular states near dissociation, which can provide a link with low-energy chemical reactions, are discussed.
Bastida, Adolfo; Zúñiga, José; Requena, Alberto; Miguel, Beatriz
2009-11-28
The Ehrenfest method with quantum corrections is used to describe the vibrational relaxation of the bend fundamental in liquid water. All the vibrational degrees of freedom of the water molecules are described using quantum mechanics, while the remaining translational and rotational degrees of freedom are described classically. The relaxation time obtained compares well with experiment and with relaxation times calculated using other theoretical approximations. The presence of resonant intermolecular vibrational energy (VV) transfer is established with a maximum percentage of excited molecules, different from the initial one, of 9.2%. It is found through an effective kinetic fit that two VV transfers occur before relaxation of water to the vibrational ground state.
Fundamental Study on the Effect of High Frequency Vibration on Ride Comfort
NASA Astrophysics Data System (ADS)
Nakagawa, Chizuru; Shimamune, Ryohei; Watanabe, Ken; Suzuki, Erimitsu
To develop a more suitable method of evaluating ride comfort of high speed trains, a fundamental study was conducted on sensitivity of passengers to various frequencies of vibration with respect to ride comfort. Experiments were performed on 55 subjects using an electrodynamic vibration system that can generate vibrations in the frequency range of 1 to 80 Hz in the vertical direction. Results of experiments indicated that the subjects tend to experience greater discomfort when exposed to high frequency vibrations than that presumed by the conventional Japanese ride comfort assessment method, the "Ride Comfort Level."
Fundamental issues in nonlinear wideband-vibration energy harvesting
NASA Astrophysics Data System (ADS)
Halvorsen, Einar
2013-04-01
Mechanically nonlinear energy harvesters driven by broadband vibrations modeled as white noise are investigated. We derive an upper bound on output power versus load resistance and show that, subject to mild restrictions that we make precise, the upper-bound performance can be obtained by a linear harvester with appropriate stiffness. Despite this, nonlinear harvesters can have implementation-related advantages. Based on the Kramers equation, we numerically obtain the output power at weak coupling for a selection of phenomenological elastic potentials and discuss their merits.
Robust and accurate fundamental frequency estimation based on dominant harmonic components.
Nakatani, Tomohiro; Irino, Toshio
2004-12-01
This paper presents a new method for robust and accurate fundamental frequency (F0) estimation in the presence of background noise and spectral distortion. Degree of dominance and dominance spectrum are defined based on instantaneous frequencies. The degree of dominance allows one to evaluate the magnitude of individual harmonic components of the speech signals relative to background noise while reducing the influence of spectral distortion. The fundamental frequency is more accurately estimated from reliable harmonic components which are easy to select given the dominance spectra. Experiments are performed using white and babble background noise with and without spectral distortion as produced by a SRAEN filter. The results show that the present method is better than previously reported methods in terms of both gross and fine F0 errors.
Madebene, Bruno; Ulusoy, Inga; Mancera, Luis; Scribano, Yohann; Chulkov, Sergey
2011-01-01
Summary We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation of the vibrational self-consistent field approach and its correlation corrections. We show that our approach is both robust, accurate and can be easily deployed on computational grids in order to provide an efficient computational tool. We also present results on the vibrational spectrum of hydrogen fluoride on pyrene, on the thiophene molecule in the gas phase, and on small neutral gold clusters. PMID:22003450
NASA Technical Reports Server (NTRS)
Huang, Xinchuan; Fortenberry, Ryan C.; Lee, Timothy J.
2013-01-01
The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(subJ) quartic distortion constants agree with experiment to within 3%. The known gas phase O-H stretch of NNOH(+) is 3330.91 cm(exp-1), and the vibrational configuration interaction computed result is 3330.9 cm(exp-1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the ISM and the laboratory.
Fedorov, Dmitry A.; Varganov, Sergey A.; Derevianko, Andrei
2014-05-14
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X{sup 1}Σ{sup +} electronic state using the coupled cluster with singles doubles and triples method. All-electron quadruple-ζ basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-ζ quality basis sets are used for K, Rb, and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtaining the accurate potential energy curves. A large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm{sup −1} for LiNa and by no more than 114 cm{sup −1} for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencies are less than 1.7 cm{sup −1}, and the discrepancies for the anharmonic correction are less than 0.1 cm{sup −1}. We show that correlation between atomic electronegativity differences and permanent dipole moment of heteronuclear alkali dimers is not perfect. To obtain the vibrational energies and wave functions the vibrational Schrödinger equation is solved with the B-spline basis set method. The transition dipole moments between all vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states are calculated. We analyze the decay rates of the vibrational states in terms of spontaneous emission, and stimulated emission and absorption induced by black body radiation. In all studied heteronuclear alkali dimers the ground vibrational states have much longer lifetimes than any excited states.
Fedorov, Dmitry A; Derevianko, Andrei; Varganov, Sergey A
2014-05-14
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X(1)Σ(+) electronic state using the coupled cluster with singles doubles and triples method. All-electron quadruple-ζ basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-ζ quality basis sets are used for K, Rb, and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtaining the accurate potential energy curves. A large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm(-1) for LiNa and by no more than 114 cm(-1) for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencies are less than 1.7 cm(-1), and the discrepancies for the anharmonic correction are less than 0.1 cm(-1). We show that correlation between atomic electronegativity differences and permanent dipole moment of heteronuclear alkali dimers is not perfect. To obtain the vibrational energies and wave functions the vibrational Schrödinger equation is solved with the B-spline basis set method. The transition dipole moments between all vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states are calculated. We analyze the decay rates of the vibrational states in terms of spontaneous emission, and stimulated emission and absorption induced by black body radiation. In all studied heteronuclear alkali dimers the ground vibrational states have much longer lifetimes than any excited states.
Fundamental study of subharmonic vibration of order 1/2 in automatic transmissions for cars
NASA Astrophysics Data System (ADS)
Ryu, T.; Nakae, T.; Matsuzaki, K.; Nanba, A.; Takikawa, Y.; Ooi, Y.; Sueoka, A.
2016-09-01
A torque converter is an element that transfers torque from the engine to the gear train in the automatic transmission of an automobile. The damper spring of the lock-up clutch in the torque converter is used to effectively absorb the torsional vibration caused by engine combustion. A damper with low stiffness reduces fluctuations in rotational speed but is difficult to use because of space limitations. In order to address this problem, the damper is designed using a piecewise-linear spring with three stiffness stages. However, the damper causes a nonlinear vibration referred to as a subharmonic vibration of order 1/2. In the subharmonic vibration, the frequency is half that of the vibrations from the engine. In order to clarify the mechanism of the subharmonic vibration, in the present study, experiments are conducted using the fundamental experimental apparatus of a single-degree-of-freedom system with two stiffness stages. In the experiments, countermeasures to reduce the subharmonic vibration by varying the conditions of the experiments are also performed. The results of the experiments are evaluated through numerical analysis using the shooting method. The experimental and analytical results were found to be in close agreement.
A fundamental numerical and theoretical study for the vibrational properties of nanowires
NASA Astrophysics Data System (ADS)
Zhan, H. F.; Gu, Y. T.
2012-06-01
Based on the molecular dynamics (MD) simulation and the classical Euler-Bernoulli beam theory, a fundamental study of the vibrational performance of the Ag nanowire (NW) is carried out. A comprehensive analysis of the quality (Q)-factor, natural frequency, beat vibration, as well as high vibration mode is presented. Two excitation approaches, i.e., velocity excitation and displacement excitation, have been successfully implemented to achieve the vibration of NWs. Upon these two kinds of excitations, consistent results are obtained, i.e., the increase of the initial excitation amplitude will lead to a decrease to the Q-factor, and moderate plastic deformation could increase the first natural frequency. Meanwhile, the beat vibration driven by a single relatively large excitation or two uniform excitations in both two lateral directions is observed. It is concluded that the nonlinear changing trend of external energy magnitude does not necessarily mean a non-constant Q-factor. In particular, the first order natural frequency of the Ag NW is observed to decrease with the increase of temperature. Furthermore, comparing with the predictions by Euler-Bernoulli beam theory, the MD simulation provides a larger and smaller first vibration frequencies for the clamped-clamped and clamped-free thin Ag NWs, respectively. Additionally, for thin NWs, the first order natural frequency exhibits a parabolic relationship with the excitation magnitudes. The frequencies of the higher vibration modes tend to be low in comparison to Euler-Bernoulli beam theory predictions. A combined initial excitation is proposed which is capable to drive the NW under a multi-mode vibration and arrows the coexistence of all the following low vibration modes. This work sheds lights on the better understanding of the mechanical properties of NWs and benefits the increasing utilities of NWs in diverse nano-electronic devices.
Accurate Measurement of Velocity and Acceleration of Seismic Vibrations near Nuclear Power Plants
NASA Astrophysics Data System (ADS)
Arif, Syed Javed; Imdadullah; Asghar, Mohammad Syed Jamil
In spite of all prerequisite geological study based precautions, the sites of nuclear power plants are also susceptible to seismic vibrations and their consequent effects. The effect of the ongoing nuclear tragedy in Japan caused by an earthquake and its consequent tsunami on March 11, 2011 is currently beyond contemplations. It has led to a rethinking on nuclear power stations by various governments around the world. Therefore, the prediction of location and time of large earthquakes has regained a great importance. The earth crust is made up of several wide, thin and rigid plates like blocks which are in constant motion with respect to each other. A series of vibrations on the earth surface are produced by the generation of elastic seismic waves due to sudden rupture within the plates during the release of accumulated strain energy. The range of frequency of seismic vibrations is from 0 to 10 Hz. However, there appears a large variation in magnitude, velocity and acceleration of these vibrations. The response of existing or conventional methods of measurement of seismic vibrations is very slow, which is of the order of tens of seconds. A systematic and high resolution measurement of velocity and acceleration of these vibrations are useful to interpret the pattern of waves and their anomalies more accurately, which are useful for the prediction of an earthquake. In the proposed work, a fast rotating magnetic field (RMF) is used to measure the velocity and acceleration of seismic vibrations in the millisecond range. The broad spectrum of pulses within one second range, measured by proposed method, gives all possible values of instantaneous velocity and instantaneous acceleration of the seismic vibrations. The spectrum of pulses in millisecond range becomes available which is useful to measure the pattern of fore shocks to predict the time and location of large earthquakes more accurately. Moreover, instead of average, the peak values of these quantities are helpful
NASA Astrophysics Data System (ADS)
Pfeiffer, Florian; Rauhut, Guntram; Feller, David; Peterson, Kirk A.
2013-01-01
Anharmonic zero point vibrational energies (ZPVEs) calculated using both conventional CCSD(T) and MP2 in combination with vibrational second-order perturbation theory (VPT2) are compared to explicitly correlated CCSD(T)-F12 and MP2-F12 results that utilize vibrational configuration interaction (VCI) theory for 26 molecules of varying size. Sequences of correlation consistent basis sets are used throughout. It is found that the explicitly correlated methods yield results close to the basis set limit even with double-zeta quality basis sets. In particular, the anharmonic contributions to the ZPVE are accurately recovered at just the MP2 (or MP2-F12) level of theory. Somewhat surprisingly, the best vibrational CI results agreed with the VPT2 values with a mean unsigned deviation of just 0.09 kJ/mol and a standard deviation of just 0.11 kJ/mol. The largest difference was observed for C4H4O (0.34 kJ/mol). A simplified version of the vibrational CI procedure that limited the modal expansion to at most 2-mode coupling yielded anharmonic corrections generally within about 0.1 kJ/mol of the full 3- or 4-mode results, except in the cases of C3H8 and C4H4O where the contributions were underestimated by 1.3 and 0.8 kJ/mol, respectively (34% and 40%, respectively). For the molecules considered in this work, accurate anharmonic ZPVEs are most economically obtained by combining CCSD(T)-F12a/cc-pVDZ-F12 harmonic frequencies with either MP2/aug-cc-pVTZ/VPT2 or MP2-F12/cc-pVDZ-F12/VCI anharmonic corrections.
The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae.
Kolli, Avinash; O'Reilly, Edward J; Scholes, Gregory D; Olaya-Castro, Alexandra
2012-11-07
The influence of fast vibrations on energy transfer and conversion in natural molecular aggregates is an issue of central interest. This article shows the important role of high-energy quantized vibrations and their non-equilibrium dynamics for energy transfer in photosynthetic systems with highly localized excitonic states. We consider the cryptophyte antennae protein phycoerythrin 545 and show that coupling to quantized vibrations, which are quasi-resonant with excitonic transitions is fundamental for biological function as it generates non-cascaded transport with rapid and wider spatial distribution of excitation energy. Our work also indicates that the non-equilibrium dynamics of such vibrations can manifest itself in ultrafast beating of both excitonic populations and coherences at room temperature, with time scales in agreement with those reported in experiments. Moreover, we show that mechanisms supporting coherent excitonic dynamics assist coupling to selected modes that channel energy to preferential sites in the complex. We therefore argue that, in the presence of strong coupling between electronic excitations and quantized vibrations, a concrete and important advantage of quantum coherent dynamics is precisely to tune resonances that promote fast and effective energy distribution.
The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae
NASA Astrophysics Data System (ADS)
Kolli, Avinash; O'Reilly, Edward J.; Scholes, Gregory D.; Olaya-Castro, Alexandra
2012-11-01
The influence of fast vibrations on energy transfer and conversion in natural molecular aggregates is an issue of central interest. This article shows the important role of high-energy quantized vibrations and their non-equilibrium dynamics for energy transfer in photosynthetic systems with highly localized excitonic states. We consider the cryptophyte antennae protein phycoerythrin 545 and show that coupling to quantized vibrations, which are quasi-resonant with excitonic transitions is fundamental for biological function as it generates non-cascaded transport with rapid and wider spatial distribution of excitation energy. Our work also indicates that the non-equilibrium dynamics of such vibrations can manifest itself in ultrafast beating of both excitonic populations and coherences at room temperature, with time scales in agreement with those reported in experiments. Moreover, we show that mechanisms supporting coherent excitonic dynamics assist coupling to selected modes that channel energy to preferential sites in the complex. We therefore argue that, in the presence of strong coupling between electronic excitations and quantized vibrations, a concrete and important advantage of quantum coherent dynamics is precisely to tune resonances that promote fast and effective energy distribution.
Zhang, Feng; Wang, Houng-Wei; Tominaga, Keisuke; Hayashi, Michitoshi; Hasunuma, Tomohisa; Kondo, Akihiko
2017-02-01
This work illustrates several theoretical fundamentals for the application of THz vibrational spectroscopy to molecular characterization in the solid state using two different types of saccharide systems as examples. Four subjects have been specifically addressed: (1) the qualitative differences in the molecular vibrational signatures monitored by THz and mid-IR vibrational spectroscopy; (2) the selection rules for THz vibrational spectroscopy as applied to crystalline and amorphous systems; (3) a normal mode simulation, using α-l-xylose as an example; and (4) a rigorous mode analysis to quantify the percentage contributions of the intermolecular and intramolecular vibrations to the normal mode of interest.
Influence of combined fundamental potentials in a nonlinear vibration energy harvester
Podder, Pranay; Mallick, Dhiman; Amann, Andreas; Roy, Saibal
2016-01-01
Ambient mechanical vibrations have emerged as a viable energy source for low-power wireless sensor nodes aiming the upcoming era of the ‘Internet of Things’. Recently, purposefully induced dynamical nonlinearities have been exploited to widen the frequency spectrum of vibration energy harvesters. Here we investigate some critical inconsistencies between the theoretical formulation and applications of the bistable Duffing nonlinearity in vibration energy harvesting. A novel nonlinear vibration energy harvesting device with the capability to switch amidst individually tunable bistable-quadratic, monostable-quartic and bistable-quartic potentials has been designed and characterized. Our study highlights the fundamentally different large deflection behaviors of the theoretical bistable-quartic Duffing oscillator and the experimentally adapted bistable-quadratic systems, and underlines their implications in the respective spectral responses. The results suggest enhanced performance in the bistable-quartic potential in comparison to others, primarily due to lower potential barrier and higher restoring forces facilitating large amplitude inter-well motion at relatively lower accelerations. PMID:27874033
Influence of combined fundamental potentials in a nonlinear vibration energy harvester
NASA Astrophysics Data System (ADS)
Podder, Pranay; Mallick, Dhiman; Amann, Andreas; Roy, Saibal
2016-11-01
Ambient mechanical vibrations have emerged as a viable energy source for low-power wireless sensor nodes aiming the upcoming era of the ‘Internet of Things’. Recently, purposefully induced dynamical nonlinearities have been exploited to widen the frequency spectrum of vibration energy harvesters. Here we investigate some critical inconsistencies between the theoretical formulation and applications of the bistable Duffing nonlinearity in vibration energy harvesting. A novel nonlinear vibration energy harvesting device with the capability to switch amidst individually tunable bistable-quadratic, monostable-quartic and bistable-quartic potentials has been designed and characterized. Our study highlights the fundamentally different large deflection behaviors of the theoretical bistable-quartic Duffing oscillator and the experimentally adapted bistable-quadratic systems, and underlines their implications in the respective spectral responses. The results suggest enhanced performance in the bistable-quartic potential in comparison to others, primarily due to lower potential barrier and higher restoring forces facilitating large amplitude inter-well motion at relatively lower accelerations.
Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Dateo, Christopher E.; Gazdy, Bela; Bowman, Joel M.
1993-01-01
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.
Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Dateo, Christopher E.; Gazdy, Bela; Bowman, Joel M.
1993-01-01
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.
An ab initio calculation of the fundamental and overtone HCl stretching vibrations for the HCl dimer
NASA Astrophysics Data System (ADS)
Jensen, Per; Bunker, P. R.; Epa, V. C.; Karpfen, A.
1992-02-01
We have previously determined an analytical ab initio six-dimensional potential energy surface for the HCl dimer, and have used it to determine the minimum energy path for the trans-tunneling motion. In the present paper we refine this path by fitting to data. We calculate a further 178 ab initio points in order to determine the HCl stretching energies, and HCl stretching dipole moment functions, at eight positions along the minimum energy path. We use these ab initio results to compute the stretching wavenumbers and transition moments from the v1 = v2 = 0 state to all states of (HCl) 2 that have v1 + v2 ≤ 3, where v1 and v2 are the local mode quantum numbers for the HCl stretching vibrations. In doing this calculation we have assumed an adiabatic separation of the HCl stretching motion from the other vibrational motions in the dimer, and have used the semirigid bender Hamiltonian to average over the trans-tunneling motion. We obtain the fundamental "free-H" stretch v1 at 2877 cm -1 and the fundamental "bound-H" stretch v2 at 2861 cm -1; the experimental values are 2880 and 2854 cm -1, respectively.
NASA Astrophysics Data System (ADS)
Shin, Seungha
All energy conversion inefficiencies begin with emission of resonant atomic motions, e.g., vibrations, and are declared as waste heat once these motions thermalize to equilibrium. The nonequilibrium energy occupancy of the vibrational modes can be targeted as a harvestable, low entropy energy source for direct conversion to electric energy. Since the lifetime of these resonant vibrations is short, special nanostructures are required with the appropriate tuning of the kinetics. These in turn require multiscale, multiphysics treatments. Atomic vibration is described with quasiparticle phonon in solid, and the optical phonon emission is dominant relaxation channel in semiconductors. These optical modes become over-occupied when their emission rate becomes larger than their decay rate, thus hindering energy relaxation and transport in devices. Effective removal of these phonons by drifting electrons is investigated by manipulating the electron distribution to have higher population in the low-energy states, thus allowing favorable phonon absorption. This is done through introduction, design and analysis of a heterobarrier conducting current, where the band gap is controlled by alloying, thus creating a spatial variation which is abrupt followed by a linear gradient (to ensure directed current). Self-consistent ensemble Monte Carlo simulations based on interaction kinetics between electron and phonon show that up to 19% of the phonon energy is converted to electric potential with an optimized GaAs/AlxGa1-xAs barrier structure over a range of current and electron densities, and this system is also verified through statistical entropy analysis. This direct energy conversion improves the device performance with lower operation temperature and enhances overall energy conversion efficiency. Through this study, the paradigm for harvesting the resonant atomic vibration is proposed, reversing the general role of phonon as only causing electric potential drop. Fundamentals
Barsberg, S; Berg, R W
2006-08-03
Furfuryl alcohol (FA) is a promising reactive precursor for new materials. FA reaction mechanisms, that is, self-reactions or cross reactions with other substances, can be studied by vibrational spectroscopy. We present a necessary prerequisite for such studies by a Raman spectroscopic and theoretical study of FA in weakly interacting environments. It is the first study of FA vibrational properties based on density functional theory (DFT/B3LYP), and a recently proposed hybrid approach to the calculation of fundamental frequencies, which also includes an anharmonic contribution. FA occupies five different conformational states, each with more than 5% probability, and two of these dominate at T = 298 K. Excluding one frequency, the remaining ones are predicted as a weighted average over the two dominant conformers to a best RMS error of 8 cm(-1) and are qualitatively assigned. The excluded CH stretching mode is underestimated by 65 cm(-1). This may be due to a combination of an insufficient level of theory and the neglect of Fermi interactions for properly describing this type of mode.
Mifflin, Amanda L.; Velarde Ruiz Esparza, Luis A.; Ho, Junming; Psciuk, Brian; Negre, Christian; Ebben, Carlena J.; Upshur, Mary Alice; Lu, Zhou; Strick, Benjamin; Thomson, Regan; Batista, Victor; Wang, Hongfei; Geiger, Franz M.
2015-02-26
Room temperature sub-wavenumber high-resolution broadband sum frequency generation (HR-BB-SFG) spectra of the common terpene (+)-α-pinene reveal ten peaks in the C–H stretching region. The spectral resolution exceeds that of Fourier transform infrared, femtosecond stimulated Raman, and traditional BB-SFG and scanning SFG spectroscopy of the same molecule. Experiment and simulation show the spectral lineshapes to be accurate. Homogeneous vibrational decoherence lifetimes of up to 1.7 psec are assigned to specific oscillators and compare favorably to lifetimes computed from density functional tight binding molecular dynamics calculations, while phase-resolved spectra yield orientation information for them. We propose the new spectroscopy as an attractive alternative to time-resolved vibrational spectroscopy or heterodyne-detection schemes for studying vibrational energy relaxation and vibrational coherences in molecules.
Design of an accurate wireless data logger for vibration analysis with Android interface.
Blanco, J R; Menéndez, J; Ferrero, F J; Campo, J C; Valledor, M
2016-12-01
In this work a new accurate wireless data logger using the Android interface was developed to monitor vibrations at low-cost. The new data logger is completely autonomous and extremely reduced in size. This instrument enables data collection wirelessly and the ability to display it on any tablet or smartphone with operating system Android. The prototype allows the monitoring of any industrial system with minimal investment in material and installation costs. The data logger is capable of making 12.8 kSPS enough to sample up to 5 kHz signals. The basic specification of the data logger includes a high resolution 1-axis piezoelectric accelerometer with a working range of ±30 G. In addition to the acceleration measurements, temperature can also be recorded. The data logger was tested during a 6-month period in industrial environments. The details of the specific hardware and software design are described. The proposed technology can be easily transferred to many other areas of industrial monitoring.
Design of an accurate wireless data logger for vibration analysis with Android interface
NASA Astrophysics Data System (ADS)
Blanco, J. R.; Menéndez, J.; Ferrero, F. J.; Campo, J. C.; Valledor, M.
2016-12-01
In this work a new accurate wireless data logger using the Android interface was developed to monitor vibrations at low-cost. The new data logger is completely autonomous and extremely reduced in size. This instrument enables data collection wirelessly and the ability to display it on any tablet or smartphone with operating system Android. The prototype allows the monitoring of any industrial system with minimal investment in material and installation costs. The data logger is capable of making 12.8 kSPS enough to sample up to 5 kHz signals. The basic specification of the data logger includes a high resolution 1-axis piezoelectric accelerometer with a working range of ±30 G. In addition to the acceleration measurements, temperature can also be recorded. The data logger was tested during a 6-month period in industrial environments. The details of the specific hardware and software design are described. The proposed technology can be easily transferred to many other areas of industrial monitoring.
Sahu, Nityananda; Gadre, Shridhar R
2015-01-07
In spite of the recent advents in parallel algorithms and computer hardware, high-level calculation of vibrational spectra of large molecules is still an uphill task. To overcome this, significant effort has been devoted to the development of new algorithms based on fragmentation methods. The present work provides the details of an efficient and accurate procedure for computing the vibrational spectra of large clusters employing molecular tailoring approach (MTA). The errors in the Hessian matrix elements and dipole derivatives arising due to the approximation nature of MTA are reduced by grafting the corrections from a smaller basis set. The algorithm has been tested out for obtaining vibrational spectra of neutral and charged water clusters at Møller-Plesset second order level of theory, and benchmarking them against the respective full calculation (FC) and/or experimental results. For (H2O)16 clusters, the estimated vibrational frequencies are found to differ by a maximum of 2 cm(-1) with reference to the corresponding FC values. Unlike the FC, the MTA-based calculations including grafting procedure can be performed on a limited hardware, yet take a fraction of the FC time. The present methodology, thus, opens a possibility of the accurate estimation of the vibrational spectra of large molecular systems, which is otherwise impossible or formidable.
NASA Astrophysics Data System (ADS)
Sahu, Nityananda; Gadre, Shridhar R.
2015-01-01
In spite of the recent advents in parallel algorithms and computer hardware, high-level calculation of vibrational spectra of large molecules is still an uphill task. To overcome this, significant effort has been devoted to the development of new algorithms based on fragmentation methods. The present work provides the details of an efficient and accurate procedure for computing the vibrational spectra of large clusters employing molecular tailoring approach (MTA). The errors in the Hessian matrix elements and dipole derivatives arising due to the approximation nature of MTA are reduced by grafting the corrections from a smaller basis set. The algorithm has been tested out for obtaining vibrational spectra of neutral and charged water clusters at Møller-Plesset second order level of theory, and benchmarking them against the respective full calculation (FC) and/or experimental results. For (H2O)16 clusters, the estimated vibrational frequencies are found to differ by a maximum of 2 cm-1 with reference to the corresponding FC values. Unlike the FC, the MTA-based calculations including grafting procedure can be performed on a limited hardware, yet take a fraction of the FC time. The present methodology, thus, opens a possibility of the accurate estimation of the vibrational spectra of large molecular systems, which is otherwise impossible or formidable.
Probing QED and fundamental constants through laser spectroscopy of vibrational transitions in HD+
Biesheuvel, J.; Karr, J.-Ph.; Hilico, L.; Eikema, K. S. E.; Ubachs, W.; Koelemeij, J. C. J.
2016-01-01
The simplest molecules in nature, molecular hydrogen ions in the form of H2+ and HD+, provide an important benchmark system for tests of quantum electrodynamics in complex forms of matter. Here, we report on such a test based on a frequency measurement of a vibrational overtone transition in HD+ by laser spectroscopy. We find that the theoretical and experimental frequencies are equal to within 0.6(1.1) parts per billion, which represents the most stringent test of molecular theory so far. Our measurement not only confirms the validity of high-order quantum electrodynamics in molecules, but also enables the long predicted determination of the proton-to-electron mass ratio from a molecular system, as well as improved constraints on hypothetical fifth forces and compactified higher dimensions at the molecular scale. With the perspective of comparisons between theory and experiment at the 0.01 part-per-billion level, our work demonstrates the potential of molecular hydrogen ions as a probe of fundamental physical constants and laws. PMID:26815886
Biesheuvel, J; Karr, J-Ph; Hilico, L; Eikema, K S E; Ubachs, W; Koelemeij, J C J
2016-01-27
The simplest molecules in nature, molecular hydrogen ions in the form of H2(+) and HD(+), provide an important benchmark system for tests of quantum electrodynamics in complex forms of matter. Here, we report on such a test based on a frequency measurement of a vibrational overtone transition in HD(+) by laser spectroscopy. We find that the theoretical and experimental frequencies are equal to within 0.6(1.1) parts per billion, which represents the most stringent test of molecular theory so far. Our measurement not only confirms the validity of high-order quantum electrodynamics in molecules, but also enables the long predicted determination of the proton-to-electron mass ratio from a molecular system, as well as improved constraints on hypothetical fifth forces and compactified higher dimensions at the molecular scale. With the perspective of comparisons between theory and experiment at the 0.01 part-per-billion level, our work demonstrates the potential of molecular hydrogen ions as a probe of fundamental physical constants and laws.
NASA Astrophysics Data System (ADS)
Schwartz, Benjamin Joel
Femtosecond and picosecond transient absorption spectroscopy are used to probe several fundamental aspects of chemical reactivity in the condensed phase including proton transfer, germinate recombination, isomerization and vibrational relaxation. The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured for the first time, and the effects of external hydrogen-bonding interactions on the proton transfer are studied in detail. The proton transfer takes place in ~240 fsec in non-polar environments, but becomes faster than the instrumental resolution of 110 fsec in methanol solutions. A simple model is proposed to explain these results. The dynamics following photodissociation of CH _2I_2 and other small molecules provide the first direct observations of germinate recombination. The recombination of many different photodissociating species occurs on a ~350 fsec time scale. Results also show that recombination yields but not rates depend on the molecular details of the solvent environment and suggest that recombination kinetics are dominated by a single collision with the surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. The data show no simple correlation between the hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes. This strongly implies that the isomerization of these systems does not provide a suitable testing ground for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in the photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial
NASA Technical Reports Server (NTRS)
Antoni, TH.; Jung, K.; Ehrhardt, H.; Chang, E. S.
1986-01-01
At 2 eV, the simultaneous rotational-vibrational cross sections for the fundamental modes are found to be well described by the Born formula with just long-range interactions. However, this result is not obtained for pure vibrational excitation (Q branch) in the Raman-active Fermi diads. At 3.8 eV, the infrared-active v2 and v3 cross sections agree with a previous theory incorporating resonant and direct scattering coherently. Measurements on the Raman-active v1 mode indicate that theories need to account for the Fermi resonance.
NASA Astrophysics Data System (ADS)
Zhu, Guo-Zhu; Wang, Lai-Sheng
2015-12-01
Tetracyanoquinodimethane (TCNQ) is widely used as an electron acceptor to form highly conducting organic charge-transfer solids. Surprisingly, the electron affinity (EA) of TCNQ is not well known and has never been directly measured. Here, we report vibrationally resolved photoelectron spectroscopy (PES) of the TCNQ- anion produced using electrospray and cooled in a cryogenic ion trap. Photoelectron spectrum taken at 354.7 nm represents the detachment transition from the ground state of TCNQ- to that of neutral TCNQ with a short vibrational progression. The EA of TCNQ is measured accurately to be 3.383 ± 0.001 eV (27 289 ± 8 cm-1), compared to the 2.8 ± 0.1 eV value known in the literature and measured previously using collisional ionization technique. In addition, six vibrational peaks are observed in the photoelectron spectrum, yielding vibrational frequencies for three totally symmetric modes of TCNQ. Two-photon PES via a bound electronic excited state of TCNQ- at 3.100 eV yields a broad low kinetic energy peak due to fast internal conversion to vibrationally excited levels of the anion ground electronic state. The high EA measured for TCNQ underlies its ability as a good electron acceptor.
Zhu, Guo-Zhu; Wang, Lai-Sheng
2015-12-14
Tetracyanoquinodimethane (TCNQ) is widely used as an electron acceptor to form highly conducting organic charge-transfer solids. Surprisingly, the electron affinity (EA) of TCNQ is not well known and has never been directly measured. Here, we report vibrationally resolved photoelectron spectroscopy (PES) of the TCNQ{sup −} anion produced using electrospray and cooled in a cryogenic ion trap. Photoelectron spectrum taken at 354.7 nm represents the detachment transition from the ground state of TCNQ{sup −} to that of neutral TCNQ with a short vibrational progression. The EA of TCNQ is measured accurately to be 3.383 ± 0.001 eV (27 289 ± 8 cm{sup −1}), compared to the 2.8 ± 0.1 eV value known in the literature and measured previously using collisional ionization technique. In addition, six vibrational peaks are observed in the photoelectron spectrum, yielding vibrational frequencies for three totally symmetric modes of TCNQ. Two-photon PES via a bound electronic excited state of TCNQ{sup −} at 3.100 eV yields a broad low kinetic energy peak due to fast internal conversion to vibrationally excited levels of the anion ground electronic state. The high EA measured for TCNQ underlies its ability as a good electron acceptor.
Zhu, Guo-Zhu; Wang, Lai-Sheng
2015-12-14
Tetracyanoquinodimethane (TCNQ) is widely used as an electron acceptor to form highly conducting organic charge-transfer solids. Surprisingly, the electron affinity (EA) of TCNQ is not well known and has never been directly measured. Here, we report vibrationally resolved photoelectron spectroscopy (PES) of the TCNQ(-) anion produced using electrospray and cooled in a cryogenic ion trap. Photoelectron spectrum taken at 354.7 nm represents the detachment transition from the ground state of TCNQ(-) to that of neutral TCNQ with a short vibrational progression. The EA of TCNQ is measured accurately to be 3.383 ± 0.001 eV (27,289 ± 8 cm(-1)), compared to the 2.8 ± 0.1 eV value known in the literature and measured previously using collisional ionization technique. In addition, six vibrational peaks are observed in the photoelectron spectrum, yielding vibrational frequencies for three totally symmetric modes of TCNQ. Two-photon PES via a bound electronic excited state of TCNQ(-) at 3.100 eV yields a broad low kinetic energy peak due to fast internal conversion to vibrationally excited levels of the anion ground electronic state. The high EA measured for TCNQ underlies its ability as a good electron acceptor.
ERIC Educational Resources Information Center
Barroso, Luciana R.; Morgan, James R.
2012-01-01
This paper describes the creation and evolution of an undergraduate dynamics and vibrations course for civil engineering students. Incorporating vibrations into the course allows students to see and study "real" civil engineering applications of the course content. This connection of academic principles to real life situations is in…
Accurate studies of dissociation energies and vibrational energies on alkali metals
NASA Astrophysics Data System (ADS)
Liu, Xiu-Ying; Sun, Wei-Guo; Fan, Qun-Chao
2008-06-01
This paper studies full vibrational spectra {Ev} and molecular dissociation energies De by using conventional least-squares (LS) fitting and an algebraic method (AM) proposed recently for 10 diatomic electronic states of 7Li2, Na2, NaK and NaLi molecules based on some known experimental vibrational energies in a subset [Evexpt] respectively. Studies show that: (1) although both the full AM spectrum {EvAM} and the LS spectrum {EvLS} can reproduce the known experimental energies in [Evexpt], the {EvAM} is superior to the {EvLS} in that the high-lying AM vibrational energies which may not be available experimentally have better or much better accuracy than those LS counterparts in {EvLS}, and so is the AM dissociation energy DeAM; (2) the main source of the errors in the data obtained by using the LS fitting is that the fitting which is just a pure mathematical process does not use any physical criteria that must be satisfied by the full vibrational spectrum, while the AM method does. This study suggests that when fitting or solving a physical equation using a set of source data, it is important not only to apply a proper mathematical tool, but also to use correct physical criteria which measure the physical properties of the data, kick out those data having bigger errors, and impose conditional convergence on the numerical process.
A Procedure for Accurately Measuring the Shaker Overturning Moment During Random Vibration Tests
NASA Technical Reports Server (NTRS)
Nayeri, Reza D.
2011-01-01
Motivation: For large system level random vibration tests, there may be some concerns about the shaker's capability for the overturning moment. It is the test conductor's responsibility to predict and monitor the overturning moment during random vibration tests. If the predicted moment is close to the shaker's capability, test conductor must measure the instantaneous moment at low levels and extrapolate to higher levels. That data will be used to decide whether it is safe to proceed to the next test level. Challenge: Kistler analog formulation for computing the real-time moment is only applicable to very limited cases in which we have 3 or 4 load cells installed at shaker interface with hardware. Approach: To overcome that limitation, a simple procedure was developed for computing the overturning moment time histories using the measured time histories of the individual load cells.
An Accurate Method for Free Vibration Analysis of Structures with Application to Plates
NASA Astrophysics Data System (ADS)
KEVORKIAN, S.; PASCAL, M.
2001-10-01
In this work, the continuous element method which has been used as an alternative to the finite element method of vibration analysis of frames is applied to more general structures like 3-D continuum and rectangular plates. The method is based on the concept of the so-called impedance matrix giving in the frequency domain, the linear relation between the generalized displacements of the boundaries and the generalized forces exerted on these boundaries. For a 3-D continuum, the concept of impedance matrix is introduced assuming a particular kind of boundary conditions. For rectangular plates, this new development leads to the solution of vibration problems for boundary conditions other than the simply supported ones.
Matanovic, Ivana; Atanassov, Plamen; Kiefer, Boris; Garzon, Fernando; Henson, Neil J.
2014-10-05
The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized-gradient approximation (GGA), nonlocal correlation, meta-GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised-RPBE, vdW-DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW-DF and meta-GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energy for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of 22.62 and 21.1% for the NAN stretching and RhAH stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the RhAH and NAN stretching modes from the bulk phonons and by solving one- and two-dimensional Schr€odinger equation associated with the RhAH, RhAN, and NAN potential energy we calculated the anharmonic correction for NAN and RhAH stretching modes as 231 cm21 and 277 cm21 at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments.
dos Santos, Marcus V P; Proenza, Yaicel G; Longo, Ricardo L
2014-09-07
The generalization of the PICVib approach [M. V. P. dos Santos et al., J. Comput. Chem., 2013, 34, 611] for calculating infrared intensities is shown to be successful and to preserve all interesting features of the procedure such as easiness of implementation and parallelization, flexibility, treatment of large systems and at high theoretical levels. It was tested and validated for very diverse molecular systems: XH3 (D3h), YH4 (D4h), conformers of RDX, S(N)2 and E2 reaction product complexes, the [W(dppe)2(NNC5H10)] complex, carbon nanotubes, and hydrogen-bonded complexes (H2O···HOH, MeHO···HOH, MeOH···OH2, MeOH···OHMe) including the guanine-cytosine pair. The PICVib shows an excellent overall performance for calculating infrared intensities of localized normal modes and even mixed vibrations, whereas care must be taken for vibrations involving intermolecular interactions. DFT functionals are still the best combination with high level ab initio methods such as CCSD and CCSD(T).
NASA Astrophysics Data System (ADS)
Majumder, Moumita; Dawes, Richard; Wang, Xiao-Gang; Carrington, Tucker; Li, Jun; Guo, Hua; Manzhos, Sergei
2014-06-01
New potential energy surfaces for methane were constructed, represented as analytic fits to about 100,000 individual high-level ab initio data. Explicitly-correlated multireference data (MRCI-F12(AE)/CVQZ-F12) were computed using Molpro [1] and fit using multiple strategies. Fits with small to negligible errors were obtained using adaptations of the permutation-invariant-polynomials (PIP) approach [2,3] based on neural-networks (PIP-NN) [4,5] and the interpolative moving least squares (IMLS) fitting method [6] (PIP-IMLS). The PESs were used in full-dimensional vibrational calculations with an exact kinetic energy operator by representing the Hamiltonian in a basis of products of contracted bend and stretch functions and using a symmetry adapted Lanczos method to obtain eigenvalues and eigenvectors. Very close agreement with experiment was produced from the purely ab initio PESs. References 1- H.-J. Werner, P. J. Knowles, G. Knizia, 2012.1 ed. 2012, MOLPRO, a package of ab initio programs. see http://www.molpro.net. 2- Z. Xie and J. M. Bowman, J. Chem. Theory Comput 6, 26, 2010. 3- B. J. Braams and J. M. Bowman, Int. Rev. Phys. Chem. 28, 577, 2009. 4- J. Li, B. Jiang and Hua Guo, J. Chem. Phys. 139, 204103 (2013). 5- S Manzhos, X Wang, R Dawes and T Carrington, JPC A 110, 5295 (2006). 6- R. Dawes, X-G Wang, A.W. Jasper and T. Carrington Jr., J. Chem. Phys. 133, 134304 (2010).
NASA Astrophysics Data System (ADS)
Huerta-Lopez, C. I.; Upegui Botero, F. M.; Pulliam, J.; Willemann, R. J.; Pasyanos, M.; Schmitz, M.; Rojas Mercedes, N.; Louie, J. N.; Moschetti, M. P.; Martinez-Cruzado, J. A.; Suárez, L.; Huerfano Moreno, V.; Polanco, E.
2013-12-01
Site characterization in civil engineering demands to know at least two of the dynamic properties of soil systems, which are: (i) dominant vibration frequency, and (ii) damping. As part of an effort to develop understanding of the principles of earthquake hazard analysis, particularly site characterization techniques using non invasive/non destructive seismic methods, a workshop (Pan-American Advanced Studies Institute: New Frontiers in Geophysical Research: Bringing New Tools and Techniques to Bear on Earthquake Hazard Analysis and Mitigation) was conducted during july 15-25, 2013 in Santo Domingo, Dominican Republic by the alliance of Pan-American Advanced Studies Institute (PASI) and Incorporated Research Institutions for Seismology (IRIS), jointly supported by Department of Energy (DOE) and National Science Foundation (NSF). Preliminary results of the site characterization in terms of fundamental vibration frequency and damping are here presented from data collected during the workshop. Three different methods were used in such estimations and later compared in order to identify the stability of estimations as well as the advantage or disadvantage among these methodologies. The used methods were the: (i) Random Decrement Method (RDM), to estimate fundamental vibration frequency and damping simultaneously; (ii) Empirical Mode Decomposition (EMD), to estimate the vibration modes, and (iii) Horizontal to Vertical Spectra ratio (HVSR), to estimate the fundamental vibration frequency. In all cases ambient vibration and induced vibration were used.
Copan, Andreas V.; Wiens, Avery E.; Nowara, Ewa M.; Schaefer, Henry F.; Agarwal, Jay
2015-02-07
Peroxyacetyl radical [CH{sub 3}C(O)O{sub 2}] is among the most abundant peroxy radicals in the atmosphere and is involved in OH-radical recycling along with peroxyacetyl nitrate formation. Herein, the ground (X{sup ~}) and first (A{sup ~}) excited state surfaces of cis and trans peroxyacetyl radical are characterized using high-level ab initio methods. Geometries, anharmonic vibrational frequencies, and adiabatic excitation energies extrapolated to the complete basis-set limit are reported from computations with coupled-cluster theory. Excitation of the trans conformer is found to induce a symmetry-breaking conformational change due to second-order Jahn-Teller interactions with higher-lying excited states. Additional benchmark computations are provided to aid future theoretical work on peroxy radicals.
Du, Lin; Mackeprang, Kasper; Kjaergaard, Henrik G
2013-07-07
We have measured gas phase vibrational spectra of the bimolecular complex formed between methanol (MeOH) and dimethylamine (DMA) up to about 9800 cm(-1). In addition to the strong fundamental OH-stretching transition we have also detected the weak second overtone NH-stretching transition. The spectra of the complex are obtained by spectral subtraction of the monomer spectra from spectra recorded for the mixture. For comparison, we also measured the fundamental OH-stretching transition in the bimolecular complex between MeOH and trimethylamine (TMA). The enthalpies of hydrogen bond formation (ΔH) for the MeOH-DMA and MeOH-TMA complexes have been determined by measurements of the fundamental OH-stretching transition in the temperature range from 298 to 358 K. The enthalpy of formation is found to be -35.8 ± 3.9 and -38.2 ± 3.3 kJ mol(-1) for MeOH-DMA and MeOH-TMA, respectively, in the 298 to 358 K region. The equilibrium constant (Kp) for the formation of the MeOH-DMA complex has been determined from the measured and calculated transition intensities of the OH-stretching fundamental transition and the NH-stretching second overtone transition. The transition intensities were calculated using an anharmonic oscillator local mode model with dipole moment and potential energy curves calculated using explicitly correlated coupled cluster methods. The equilibrium constant for formation of the MeOH-DMA complex was determined to be 0.2 ± 0.1 atm(-1), corresponding to a ΔG value of about 4.0 kJ mol(-1).
Schwartz, B.J.
1992-11-01
The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured and effects of external hydrogen-bonding interactions on the proton transfer are studied. The proton transfer takes place in {approximately}240 fsec in nonpolar environments, but becomes faster than instrumental resolution of 110 fsec in methanol solution. The dynamics following photodissociation of CH{sub 2}I{sub 2} and other small molecules provide the first direct observations of geminate recombination. The recombination of many different photodissociating species occurs on a {approximately}350 fsec time scale. Results show that recombination yields but not rates depend on the solvent environment and suggest that recombination kinetics are dominated by a single collision with surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. Data show no simple correlation between hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes, implying that the isomerization does not provide a suitable for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial steps of the photochromic reaction process occur extremely rapidly. Laser system and computer codes for data analysis are discussed.
Fundamental Vibrational Transition of CO During the Outburst of EX Lupi in 2008
NASA Astrophysics Data System (ADS)
Goto, M.; Regály, Zs.; Dullemond, C. P.; van den Ancker, M.; Brown, J. M.; Carmona, A.; Pontoppidan, K.; Ábrahám, P.; Blake, G. A.; Fedele, D.; Henning, Th.; Juhász, A.; Kóspál, Á.; Mosoni, L.; Sicilia-Aguilar, A.; Terada, H.; van Boekel, R.; van Dishoeck, E. F.; Usuda, T.
2011-02-01
We report monitoring observations of the T Tauri star EX Lupi during its outburst in 2008 in the CO fundamental band at 4.6-5.0 μm. The observations were carried out at the Very Large Telescope and the Subaru Telescope at six epochs from 2008 April to August, covering the plateau of the outburst and the fading phase to a quiescent state. The line flux of CO emission declines with the visual brightness of the star and the continuum flux at 5 μm, but composed of two subcomponents that decay with different rates. The narrow-line emission (50 km s-1 in FWHM) is near the systemic velocity of EX Lupi. These emission lines appear exclusively in v = 1-0. The line widths translate to a characteristic orbiting radius of 0.4 AU. The broad-line component (FWZI ~ 150 km s-1) is highly excited up to v <= 6. The line flux of the component decreases faster than the narrow-line emission. Simple modeling of the line profiles implies that the broad-line emitting gas is orbiting around the star at 0.04-0.4 AU. The excitation state, the decay speed of the line flux, and the line profile indicate that the broad-line emission component is physically distinct from the narrow-line emission component, and more tightly related to the outburst event.
Theory of the fundamental vibration-rotation-translation spectrum of H2 in a C60 lattice
NASA Astrophysics Data System (ADS)
Herman, Roger M.; Lewis, John Courtenay
2006-04-01
Calculations are presented for the fundamental vibration-rotation spectrum of H2 in fcc C60 (fullerite) lattices. The principal features are identified as lattice-shifted “vibration-rotation-translation” state absorption transitions. The level spacings of the H2 modes are calculated numerically for the potential function resulting from the summation of the individual C-H2 potentials for all C atoms in the six nearest neighbor C60 molecules. The potential is approximately separable in Cartesian coordinates, giving a very good approximation to exactly calculated translational energies for the lower levels. The positions and relative strengths of the individual transitions are calculated from the eigenfunctions for this separable potential. The line shapes are assumed to be Lorentzian, and the widths are chosen so as to give good fits to the DRIFT spectrum of FitzGerald [Phys. Rev. B 65, 140302(R) (2002)]. A theory of the C-H2 induced dipole moment is developed with which to calculate intensities. In order to fit the observed DRIFTS transition frequencies it is found necessary to take the overlap part of the C-H2 potential to be about 13% longer in range than the C-H2 potential in graphene. Furthermore, differences in the theoretical spectra obtained with a near-optimal exp-6 potential and near-optimal Lennard-Jones 12-6 potential are clearly evident, with the exp-6 potential giving a better fit to observation than the Lennard-Jones potential. Similarly, Lorentzian line shapes assumed for the individual transitions yield better agreement with observation than Gaussian line shapes.
NASA Astrophysics Data System (ADS)
Roy Choudhury, Raja; Roy Choudhury, Arundhati; Kanti Ghose, Mrinal
2013-01-01
A semi-analytical model with three optimizing parameters and a novel non-Gaussian function as the fundamental modal field solution has been proposed to arrive at an accurate solution to predict various propagation parameters of graded-index fibers with less computational burden than numerical methods. In our semi analytical formulation the optimization of core parameter U which is usually uncertain, noisy or even discontinuous, is being calculated by Nelder-Mead method of nonlinear unconstrained minimizations as it is an efficient and compact direct search method and does not need any derivative information. Three optimizing parameters are included in the formulation of fundamental modal field of an optical fiber to make it more flexible and accurate than other available approximations. Employing variational technique, Petermann I and II spot sizes have been evaluated for triangular and trapezoidal-index fibers with the proposed fundamental modal field. It has been demonstrated that, the results of the proposed solution identically match with the numerical results over a wide range of normalized frequencies. This approximation can also be used in the study of doped and nonlinear fiber amplifier.
Asselin, Pierre; Berger, Yann; Huet, Thérèse R; Margulès, Laurent; Motiyenko, Roman; Hendricks, Richard J; Tarbutt, Michael R; Tokunaga, Sean K; Darquié, Benoît
2017-02-08
Precise spectroscopic analysis of polyatomic molecules enables many striking advances in physical chemistry and fundamental physics. We use several new high-resolution spectroscopic devices to improve our understanding of the rotational and rovibrational structure of methyltrioxorhenium (MTO), the achiral parent of a family of large oxorhenium compounds that are ideal candidate species for a planned measurement of parity violation in chiral molecules. Using millimetre-wave and infrared spectroscopy in a pulsed supersonic jet, a cryogenic buffer gas cell, and room temperature absorption cells, we probe the ground state and the Re[double bond, length as m-dash]O antisymmetric and symmetric stretching excited states of both CH3(187)ReO3 and CH3(185)ReO3 isotopologues in the gas phase with unprecedented precision. By extending the rotational spectra to the 150-300 GHz range, we characterize the ground state rotational and hyperfine structure up to J = 43 and K = 41, resulting in refinements to the rotational, quartic and hyperfine parameters, and the determination of sextic parameters and a centrifugal distortion correction to the quadrupolar hyperfine constant. We obtain rovibrational data for temperatures between 6 and 300 K in the 970-1015 cm(-1) range, at resolutions down to 8 MHz and accuracies of 30 MHz. We use these data to determine more precise excited-state rotational, Coriolis and quartic parameters, as well as the ground-state centrifugal distortion parameter DK of the (187)Re isotopologue. We also account for hyperfine structure in the rovibrational transitions and hence determine the upper state rhenium atom quadrupole coupling constant eQq'.
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Martin, Jan M. L.; Kwak, Dochan (Technical Monitor)
2002-01-01
The CCSD(T) method has been used to compute a highly accurate quartic force field and fundamental frequencies for all N-14 and N-15 isotopomers of the high energy density material T(sub d)N(sub 4). The computed fundamental frequencies show beyond doubt that the bands observed in a matrix isolation experiment by Radziszewski and coworkers are not due to different isotopomers of T(sub d)N(sub 4). The most sophisticated thermochemical calculations to date yield a N(sub 4) -> 2N(sub 2) heat of reaction of 182.22 +/- 0.5 kcal/mol at 0 K (180.64 +/- 0.5 at 298 K). It is hoped that the data reported herein will aid in the ultimate detection of T(sub d)N(sub 4).
Hoffmann, L J H; Marquardt, S; Gemechu, A S; Baumgärtel, H
2006-05-28
The REMPI spectra of anisole-h8, anisole-d3 and anisole-d8 have been measured. The assignment of the fundamental vibrations of anisole in the S(1) state is supported by quantum chemical model calculations, the isotopic shifts, the comparison with the frequencies of corresponding vibrations in other monosubstituted benzenes, especially phenol, and the overtones, combinations and progressions observed in the spectrum of anisole-h8. The frequencies of the 42 fundamental vibrations of anisole in the S(1) state are evaluated and compared with the frequencies of the corresponding vibrations in the electronic ground state. Some assignments given earlier in the literature have been revised.
Wu, Anan; Xu, Xin
2012-06-15
We present a method, named DCMB, for the calculations of large molecules. It is a combination of a parallel divide-and-conquer (DC) method and a mixed-basis (MB) set scheme. In this approach, atomic forces, total energy and vibrational frequencies are obtained from a series of MB calculations, which are derived from the target system utilizing the DC concept. Unlike the fragmentation based methods, all DCMB calculations are performed over the whole target system and no artificial caps are introduced so that it is particularly useful for charged and/or delocalized systems. By comparing the DCMB results with those from the conventional method, we demonstrate that DCMB is capable of providing accurate prediction of molecular geometries, total energies, and vibrational frequencies of molecules of general interest. We also demonstrate that the high efficiency of the parallel DCMB code holds the promise for a routine geometry optimization of large complex systems.
Exact vibrational energies of non-rotating H 2O and D 2O using an accurate ab initio potential
NASA Astrophysics Data System (ADS)
Bowman, Joel M.; Wierzbicki, Andrzej; Zúñiga, Jose
1988-09-01
Variationally exact vibrational energies are reported for non-rotating H 2O and D 2O using the recent CCSDT-1 ab initio potential of Bartlett, Cole, Purvis, Ermler, Hsieh and Shavitt as fit to an SPF quartic force field by Ermler. Twenty vibrational states are calculated for H 2O and D 2O and compared with experimental data. The agreement with experiment is fairly good; however, when the second-order bending force constant is reduced slightly, the agreement with experiment improves significantly. For eighteen states of H 2O the largest error is 15 cm -1 and the average absolute error is 6 cm -1. For eight states of D 2O the largest error is 7 cm -1 and the average absolute error is 4 cm -1.
NASA Astrophysics Data System (ADS)
Gershgoren, Erez; Wang, Zhaohui; Ruhman, Sanford; Vala, Jiri; Kosloff, Ronnie
2003-02-01
Pure ν1 vibrational dephasing of triiodide is recorded in ethanol and methyl-tetrahydrofurane solutions from 300 to 100 K, for the vibrational fundamental and its first overtone. Using impulsive Raman spectroscopy, dephasing is demonstrated to be homogeneous throughout the temperature range studied. Independent measures of T1 prove that population relaxation contributes negligibly to the dephasing rates. The reduction in temperature gradually leads to a ˜2-fold decrease in the rate of pure dephasing. With cooling the ratio of T2(n=1)*/T2(n=2)* reduces slightly but remains in the range of 2.7 to 2. These results are discussed in terms of Kubo lineshape and Poisson dephasing theories. Neither of these consistently explains the experimental observations assuming reasonable intensities and rates of intermolecular encounters in the solutions.
NASA Astrophysics Data System (ADS)
GASPARETTO, A.
2001-02-01
Vibration control of flexible link mechanisms with more than two flexible links is still an open question, mainly because defining a model that is adequate for the designing of a controller is a rather difficult task. In this work, an accurate dynamic non-linear model of a flexible-link planar mechanism is presented. In order to bring the system into a form that is suitable for the design of a vibration controller, the model is then linearized about an operating point, so as to achieve a linear model of the system in the standard state-space form of system theory. The linear model obtained, which is valid for whatever planar mechanism with any number of flexible link, is then applied to a four-bar planar linkage. Extensive simulation is carried out, aimed at comparing the system dynamic evolution, both in the open- and in the closed-loop case, using the non-linear model and the linearized one. The results prove that the error made by using the linearized system instead of the non-linear one is small. Therefore, it can be concluded that the model proposed in this work can constitute an effective basis for designing and testing many types of vibration controllers for flexible planar mechanisms.
NASA Astrophysics Data System (ADS)
Baiardi, Alberto; Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien
2014-06-01
Two parallel theories including Franck-Condon, Herzberg-Teller and Duschinsky (i.e., mode mixing) effects, allowing different approximations for the description of excited state PES have been developed in order to simulate realistic, asymmetric, electronic spectra line-shapes taking into account the vibrational structure: the so-called sum-over-states or time-independent (TI) method and the alternative time-dependent (TD) approach, which exploits the properties of the Fourier transform. The integrated TI-TD procedure included within a general purpose QM code [1,2], allows to compute one photon absorption, fluorescence, phosphorescence, electronic circular dichroism, circularly polarized luminescence and resonance Raman spectra. Combining both approaches, which use a single set of starting data, permits to profit from their respective advantages and minimize their respective limits: the time-dependent route automatically includes all vibrational states and, possibly, temperature effects, while the time-independent route allows to identify and assign single vibronic transitions. Interpretation, analysis and assignment of experimental spectra based on integrated TI-TD vibronic computations will be illustrated for challenging cases of medium-sized open-shell systems in the gas and condensed phases with inclusion of leading anharmonic effects. 1. V. Barone, A. Baiardi, M. Biczysko, J. Bloino, C. Cappelli, F. Lipparini Phys. Chem. Chem. Phys, 14, 12404, (2012) 2. A. Baiardi, V. Barone, J. Bloino J. Chem. Theory Comput., 9, 4097-4115 (2013)
NASA Astrophysics Data System (ADS)
Liao, Chan-Yi; Wu, Yi-Chuang; Chang, Ching-Yuan; Ma, Chien-Ching
2017-04-01
This study combined theoretical, experimental, and numerical analysis to investigate the vibration characteristics of a thin rectangular plate positioned horizontally at the bottom of a rectangular container filled with liquid. Flow field pressure was derived using an equation governing the behavior of incompressible fluids. Analytic solutions to vibrations in a thin plate in air served as the fundamental function of the thin plate coupled with liquid. We then used liquid pressure, and the out-of-plane deflection of the thin plate for the construction of frequency response functions for the analysis of vibration characteristics in the liquid-plate coupling system. Two experimental methods were employed to measure the vibration characteristics of the thin plate immersed in water. The first involved using sensors of polyvinylidene difluoride (PVDF) to measure transient signals of fluid-plate system subjected an impact at the thin plate. These were then converted to the frequency domain in order to obtain the resonant frequencies of the fluid-plate coupling system. The second method was amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI), which was used to measure the dynamic characteristics of the thin plate in the flow field. This method was paired with the image processing techniques, temporal speckle pattern interferometry (TSPI) and temporal standard deviation (TSTD), to obtain clear mode shapes of the thin plate and resonant frequencies. Comparison of the results from theoretical analysis, finite element method, and experimental measurements confirmed the accuracy of our theoretical analysis, which was superior to the conventional approach based on beam mode shape functions. The experimental methods proposed in this study can be used to measure the resonant frequencies of underwater thin plates, and clear mode shapes can be obtained using AF-ESPI. Our results indicate that the resonant frequencies of thin plates underwater are lower than
Homayoon, Zahra
2014-09-28
A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO{sup +}(H{sub 2}O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO{sup +}(H{sub 2}O) and NO{sup +}(D{sub 2}O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO{sup +}(H{sub 2}O) and NO{sup +}(D{sub 2}O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO{sup +}(H{sub 2}O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water “antisymmetric” stretching mode with the low-frequency intermolecular modes results in intensity borrowing.
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Martin, Jan M. L.; Dateo, Christopher E.; Taylor, Peter R.
1995-01-01
The XCN and XNC (X = F, Cl) isomers have been investigated using the CCSD(T) method in conjunction with correlation consistent basis sets. Equilibrium geometries, harmonic frequencies, anharmonic constants, fundamental frequencies, and heats of formation have been evaluated. Agreement with experiment for the fundamental frequencies is very good, even for nu(sub 2), for CICN, which is subject to a strong Fermi resonance with 2nu(sub 3). It is also shown that a second-order perturbation theory approach to solving the nuclear Schroedinger equation gives results in excellent agreement with essentially exact variational calculations. This is true even for nu(sub 2) of ClCN, provided that near-singular terms are eliminated from the perturbation theory formulas and the appropriate Fermi interaction energy matrix is then diagonalized. A band at 615/cm, tentatively assigned as the Cl-N stretch in ClNC in matrix isolation experiments, is shown not to be due to ClNC. Accurate atomization energies are determined and are used to evaluate accurate heats of formation (3.1 +/- 1.5, 33.2 +/- 1.5, 72.6 +/- 1.5, and 75.9 +/- 1.5 kcal/mol for FCN, ClCN, FNC, and ClNC, respectively). It is expected that the theoretical heats of formation for FCN, FNC, and ClNC are the most accurate available.
NASA Astrophysics Data System (ADS)
Wu, Hongpeng; Yin, Xukun; Dong, Lei; Pei, Kailong; Sampaolo, Angelo; Patimisco, Pietro; Zheng, Huadan; Ma, Weiguang; Zhang, Lei; Yin, Wangbao; Xiao, Liantuan; Spagnolo, Vincenzo; Jia, Suotang; Tittel, Frank K.
2017-03-01
A dual-gas quartz-enhanced photoacoustic spectroscopy (QEPAS) sensor system based on a frequency division multiplexing technique of a quartz tuning fork (QTF) was developed and experimentally demonstrated. Two beams from two independently modulated lasers are focused at two different positions between the QTF prongs to excite both the QTF fundamental and 1st overtone flexural modes simultaneously. The 2f-wavelength modulation technique is employed by applying two sinusoidal dithers, whose frequencies are equal to a half of the QTF fundamental and 1st overtone frequencies, respectively, to the currents of two excitation lasers. The resonance frequency difference between two flexural modes ensures that the correlated photoacoustic signals generated by different target gases do not interfere with each other. The proposed QEPAS methodology realizes a continuous real-time dual-gas monitoring with a simple setup and small sensor size compared with previous multi-gas QEPAS sensors.
NASA Astrophysics Data System (ADS)
Bishop, David M.; Cybulski, Slawomir M.
1994-11-01
Self-consistent-field (SCF) and second-order Moller-Plesset (MP2) calculations, using large basis sets, have been carried out for the system X2...Y(+), with X = H, D, and N and Y = Li and Na. In particular, the fundamental vibrational frequency shifts and intensities induced in the diatomic by the cation have been found. For Y = Na these properties may be compared with the experimental infrared spectra of the same diatomics when trapped in a NaA zeolite. There is good agreement between theory and experiment for the frequency shifts but the calculated intensity for N2...Na(+) is several times larger than that found in the zeolite. This indicates that either the model for the trapped species is too simple or the experimental result needs reassessment.
Schwartz, B.J.
1992-11-01
The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured and effects of external hydrogen-bonding interactions on the proton transfer are studied. The proton transfer takes place in [approximately]240 fsec in nonpolar environments, but becomes faster than instrumental resolution of 110 fsec in methanol solution. The dynamics following photodissociation of CH[sub 2]I[sub 2] and other small molecules provide the first direct observations of geminate recombination. The recombination of many different photodissociating species occurs on a [approximately]350 fsec time scale. Results show that recombination yields but not rates depend on the solvent environment and suggest that recombination kinetics are dominated by a single collision with surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. Data show no simple correlation between hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes, implying that the isomerization does not provide a suitable for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial steps of the photochromic reaction process occur extremely rapidly. Laser system and computer codes for data analysis are discussed.
Chen, Yujing; Morisawa, Yusuke; Futami, Yoshisuke; Czarnecki, Mirosław A; Wang, Hai-Shui; Ozaki, Yukihiro
2014-04-10
Vibrational overtone studies primarily focus on X-H stretching overtone transitions, where X is an atom like C, O, N, or S. In contrast, the studies on the C ═ O stretching overtones are very scattered. To advance the research in this field, we measured the fundamental, first, and second overtones of the C ═ O stretching vibration of acetone and 2-hexanone in n-hexane, CCl4, and CHCl3, as well as in the vapor phase using FT-IR/FT-NIR spectroscopy. Density functional theory (DFT) calculations have also been performed to help the assignment of the C ═ O stretching bands and to guide interpretation of the experimental results. It was found that the wavenumbers, absorption intensities, and oscillator strengths of the C ═ O stretching bands show marked solvent dependence. In the fundamental and the first overtone regions, the intensities of the C ═ O stretching vibration were found to be pronouncedly more intense than those of the C-H stretching vibration. In the second overtone region, the intensities of the C-H stretching vibration are comparable to those of the C ═ O stretching vibration. The theoretical and observed decrease in integrated intensity upon going from the fundamental to the first overtone of the C ═ O stretching vibration is around 50, which is significantly larger than those of the O-H, C-H, and S-H stretching vibration. Both the calculated and experimental results suggest that excessive weakness in the C ═ O stretching overtone was shown to be a result of both a low anharmonicity and a substantial reduction in the oscillator strength. These results provide new insight into our understanding of the C ═ O stretching vibration.
Silva, Arnaldo F.; Richter, Wagner E.; Bruns, Roy E.; Terrabuio, Luiz A.; Haiduke, Roberto L. A.
2014-02-28
The Quantum Theory of Atoms In Molecules/Charge-Charge Flux-Dipole Flux (QTAIM/CCFDF) model has been used to investigate the electronic structure variations associated with intensity changes on dimerization for the vibrations of the water and hydrogen fluoride dimers as well as in the water-hydrogen fluoride complex. QCISD/cc-pVTZ wave functions applied in the QTAIM/CCFDF model accurately provide the fundamental band intensities of water and its dimer predicting symmetric and antisymmetric stretching intensity increases for the donor unit of 159 and 47 km mol{sup −1} on H-bond formation compared with the experimental values of 141 and 53 km mol{sup −1}. The symmetric stretching of the proton donor water in the dimer has intensity contributions parallel and perpendicular to its C{sub 2v} axis. The largest calculated increase of 107 km mol{sup −1} is perpendicular to this axis and owes to equilibrium atomic charge displacements on vibration. Charge flux decreases occurring parallel and perpendicular to this axis result in 42 and 40 km mol{sup −1} total intensity increases for the symmetric and antisymmetric stretches, respectively. These decreases in charge flux result in intensity enhancements because of the interaction contributions to the intensities between charge flux and the other quantities. Even though dipole flux contributions are much smaller than the charge and charge flux ones in both monomer and dimer water they are important for calculating the total intensity values for their stretching vibrations since the charge-charge flux interaction term cancels the charge and charge flux contributions. The QTAIM/CCFDF hydrogen-bonded stretching intensity strengthening of 321 km mol{sup −1} on HF dimerization and 592 km mol{sup −1} on HF:H{sub 2}O complexation can essentially be explained by charge, charge flux and their interaction cross term. Atomic contributions to the intensities are also calculated. The bridge hydrogen atomic contributions alone
Futami, Yoshisuke; Ozaki, Yasushi; Ozaki, Yukihiro
2016-02-21
Infrared (IR) and near infrared (NIR) spectra were measured for methanol and the methanol-pyridine complex in carbon tetrachloride. Upon the formation of the methanol-pyridine complex, the frequencies of both the fundamental and first overtone bands of the OH stretching vibration shifted to lower frequencies, and the absorption intensity of the fundamental increased significantly, while that of the first overtone decreased markedly. By using quantum chemical calculations, we estimated the absorption intensities and frequencies of the fundamental and first overtone bands for the OH stretching vibration based on the one-dimensional Schrödinger equation. The calculated results well reproduced the experimental results. The molecular vibration potentials and dipole moment functions of the OH stretching vibration modes were compared between methanol and the methanol-pyridine complex in terms of absorption intensity changes and frequency shifts. The large change in the dipole moment function was found to be the main cause for the variations in absorption intensity for the fundamental and first overtone bands.
NASA Astrophysics Data System (ADS)
Onaka, Takashi; Mori, Tamami; Sakon, Itsuki; Ardaseva, Aleksandra
2016-10-01
We present the results of near-infrared (2.5-5.4 μm) long-slit spectroscopy of the extended green object (EGO) G318.05+0.09 with AKARI. Two distinct sources are found in the slit. The brighter source has strong red continuum emission with H2O ice, CO2 ice, and CO gas and ice absorption features at 3.0, 4.25 μm, 4.67 μm, respectively, while the other greenish object shows peculiar emission that has double peaks at around 4.5 and 4.7 μm. The former source is located close to the ultra compact H ii region IRAS 14498-5856 and is identified as an embedded massive young stellar object (YSO). The spectrum of the latter source can be interpreted by blueshifted (-3000 ˜ -6000 km s-1) optically thin emission of the fundamental ro-vibrational transitions (v=1{--}0) of CO molecules with temperatures of 12000-3700 K without noticeable H2 and H i emission. We discuss the nature of this source in terms of outflow associated with the young stellar object and supernova ejecta associated with a supernova remnant.
Cueto, M.; Herrero, V. J.; Tanarro, I.; Doménech, J. L.; Cernicharo, J.; Barlow, M. J.; Swinyard, B. M.
2014-03-01
The protonated argon ion, {sup 36}ArH{sup +}, was recently identified in the Crab Nebula from Herschel spectra. Given the atmospheric opacity at the frequency of its J = 1-0 and J = 2-1 rotational transitions (617.5 and 1234.6 GHz, respectively), and the current lack of appropriate space observatories after the recent end of the Herschel mission, future studies on this molecule will rely on mid-infrared observations. We report on accurate wavenumber measurements of {sup 36}ArH{sup +} and {sup 38}ArH{sup +} rotation-vibration transitions in the v = 1-0 band in the range 4.1-3.7 μm (2450-2715 cm{sup –1}). The wavenumbers of the R(0) transitions of the v = 1-0 band are 2612.50135 ± 0.00033 and 2610.70177 ± 0.00042 cm{sup –1} (±3σ) for {sup 36}ArH{sup +} and {sup 38}ArH{sup +}, respectively. The calculated opacity for a gas thermalized at a temperature of 100 K and with a linewidth of 1 km s{sup –1} of the R(0) line is 1.6 × 10{sup –15} × N({sup 36}ArH{sup +}). For column densities of {sup 36}ArH{sup +} larger than 1 × 10{sup 13} cm{sup –2}, significant absorption by the R(0) line can be expected against bright mid-IR sources.
Hua -Gen Yu; Han, Huixian; Guo, Hua
2016-03-29
Vibrational energy levels of the ammonium cation (NH4+) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4+ and ND4+ exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm–1.
NASA Astrophysics Data System (ADS)
Qu, Hongquan; Ren, Xuecong; Li, Guoxiang; Li, Yonghong; Zhang, Changnian
2015-06-01
One of the key technologies for optical fiber vibration pre-warning system (OFVWS) refers to identifying the vibration source accurately from the detected vibration signals. Because of many kinds of vibration sources and complex geological structures, the implement of identifying vibration sources presents some interesting challenges which need to be overcome in order to achieve acceptable performance. This paper mainly conducts on the time domain and frequency domain analysis of the vibration signals detected by the OFVWS and establishes attribute feature models including an energy information entropy model to identify raindrop vibration source and a fundamental frequency model to distinguish the construction machine and train or car passing by. Test results show that the design and selection of the feature model are reasonable, and the rate of identification is good.
Fundamental frequency from classical molecular dynamics.
Yamada, Tomonori; Aida, Misako
2015-02-07
We give a theoretical validation for calculating fundamental frequencies of a molecule from classical molecular dynamics (MD) when its anharmonicity is small enough to be treated by perturbation theory. We specifically give concrete answers to the following questions: (1) What is the appropriate initial condition of classical MD to calculate the fundamental frequency? (2) From that condition, how accurately can we extract fundamental frequencies of a molecule? (3) What is the benefit of using ab initio MD for frequency calculations? Our analytical approaches to those questions are classical and quantum normal form theories. As numerical examples we perform two types of MD to calculate fundamental frequencies of H2O with MP2/aug-cc-pVTZ: one is based on the quartic force field and the other one is direct ab initio MD, where the potential energies and the gradients are calculated on the fly. From those calculations, we show comparisons of the frequencies from MD with the post vibrational self-consistent field calculations, second- and fourth-order perturbation theories, and experiments. We also apply direct ab initio MD to frequency calculations of C-H vibrational modes of tetracene and naphthalene. We conclude that MD can give the same accuracy in fundamental frequency calculation as second-order perturbation theory but the computational cost is lower for large molecules.
NASA Astrophysics Data System (ADS)
Zabihi, Fatemeh; Ahmadian-Yazdi, Mohammad-Reza; Eslamian, Morteza
2016-02-01
In this paper, a scalable and fast process is developed and employed for the fabrication of the perovskite light harvesting layer in inverted planar heterojunction solar cell (FTO/PEDOT:PSS/CH3NH3PbI3- x Cl x /PCBM/Al). Perovskite precursor solutions are sprayed onto an ultrasonically vibrating substrate in two sequential steps via a process herein termed as the two-step sequential substrate vibration-assisted spray coating (2S-SVASC). The gentle imposed ultrasonic vibration on the substrate promotes droplet spreading and coalescence, surface wetting, evaporation, mixing of reagents, and uniform growth of perovskite nanocrystals. The role of the substrate temperature, substrate vibration intensity, and the time interval between the two sequential sprays are studied on the roughness, coverage, and crystalline structure of perovskite thin films. We demonstrate that a combination of a long time interval between spraying of precursor solutions (15 min), a high substrate temperature (120 °C), and a mild substrate vibration power (5 W) results in a favorable morphology and surface quality. The characteristics and performance of prepared perovskite thin films made via the 2S-SVASC technique are compared with those of the co-sprayed perovskite thin films. The maximum power conversion efficiency of 5.08 % on a 0.3-cm2 active area is obtained for the device made via the scalable 2S-SVASC technique.
Zabihi, Fatemeh; Ahmadian-Yazdi, Mohammad-Reza; Eslamian, Morteza
2016-12-01
In this paper, a scalable and fast process is developed and employed for the fabrication of the perovskite light harvesting layer in inverted planar heterojunction solar cell (FTO/PEDOT:PSS/CH3NH3PbI3-x Cl x /PCBM/Al). Perovskite precursor solutions are sprayed onto an ultrasonically vibrating substrate in two sequential steps via a process herein termed as the two-step sequential substrate vibration-assisted spray coating (2S-SVASC). The gentle imposed ultrasonic vibration on the substrate promotes droplet spreading and coalescence, surface wetting, evaporation, mixing of reagents, and uniform growth of perovskite nanocrystals. The role of the substrate temperature, substrate vibration intensity, and the time interval between the two sequential sprays are studied on the roughness, coverage, and crystalline structure of perovskite thin films. We demonstrate that a combination of a long time interval between spraying of precursor solutions (15 min), a high substrate temperature (120 °C), and a mild substrate vibration power (5 W) results in a favorable morphology and surface quality. The characteristics and performance of prepared perovskite thin films made via the 2S-SVASC technique are compared with those of the co-sprayed perovskite thin films. The maximum power conversion efficiency of 5.08 % on a 0.3-cm(2) active area is obtained for the device made via the scalable 2S-SVASC technique.
Fundamental ecology is fundamental.
Courchamp, Franck; Dunne, Jennifer A; Le Maho, Yvon; May, Robert M; Thébaud, Christophe; Hochberg, Michael E
2015-01-01
The primary reasons for conducting fundamental research are satisfying curiosity, acquiring knowledge, and achieving understanding. Here we develop why we believe it is essential to promote basic ecological research, despite increased impetus for ecologists to conduct and present their research in the light of potential applications. This includes the understanding of our environment, for intellectual, economical, social, and political reasons, and as a major source of innovation. We contend that we should focus less on short-term, objective-driven research and more on creativity and exploratory analyses, quantitatively estimate the benefits of fundamental research for society, and better explain the nature and importance of fundamental ecology to students, politicians, decision makers, and the general public. Our perspective and underlying arguments should also apply to evolutionary biology and to many of the other biological and physical sciences.
Radial vibrations of BPS skyrmions
NASA Astrophysics Data System (ADS)
Adam, C.; Haberichter, M.; Romanczukiewicz, T.; Wereszczynski, A.
2016-11-01
We study radial vibrations of spherically symmetric Skyrmions in the Bogomol'nyi-Prasad-Sommerfield Skyrme model. Concretely, we numerically solve the linearized field equations for small fluctuations in a Skyrmion background, both for linearly stable oscillations and for (unstable) resonances. This is complemented by numerical solutions of the full nonlinear system, which confirm all the results of the linear analysis. In all cases, the resulting fundamental excitation provides a rather accurate value for the Roper resonance, supporting the hypothesis that the Bogomol'nyi-Prasad-Sommerfield Skyrme model already gives a reasonable approximate description of this resonance. Furthermore, for many potentials additional higher resonances appear, again in agreement with known experimental results.
Uhlíková, Tereza; Urban, Štěpán
2013-06-21
The first attempt for a theoretical explanation of the ν6 fundamental energy levels of the fluorosulfate radical (FSO3) electronic ground state has been made. The vibronic interaction of the two lowest electronic states of the radical (X̃ (2)A2 and Ã (2)E) has been taken into consideration in the basis of the linear vibronic coupling (LVC) approximation. The strengths of the intrastate and interstate vibronic couplings have been calculated within the framework of the Köppel, Domcke, and Cederbaum (KDC) model Hamiltonian. Already this simple KDC-LVC model provides the ν6 fundamental energy, which is in very good agreement with the experimental results. From the inclusion of vibronic interactions such as the pseudo-Jahn-Teller and Jahn-Teller effects into the calculation of the fundamental energy of the ν6 mode, it can be said that mainly the interstate coupling with the electronic excited state E causes the unexpectedly low fundamental energy ν6 of the FSO3 radical.
NASA Technical Reports Server (NTRS)
Boissoles, J.; Boulet, C.; Robert, D.; Green, S.
1989-01-01
Accurate coupled state calculations of line coupling are performed for infrared lines of carbon monoxide perturbed by helium. Such calculations lead to both real and imaginary line couplings. For the first time, the effect of this imaginary line couplings, connected with state-to-state rotational phase coherences, on infrared band shape, is analyzed. An extension of detailed balance principle to the complex plane is suggested from the present computed off-diagonal cross sections. This allows us to understand the physical mechanism underlying the weak effect of phase coherences on CO-He infrared band shape.
Human discomfort response to noise combined with vertical vibration
NASA Technical Reports Server (NTRS)
Leatherwood, J. D.
1979-01-01
An experimental investigation was conducted (1) to determine the effects of combined environmental noise and vertical vibration upon human subjective discomfort response, (2) to develop a model for the prediction of passenger discomfort response to the combined environment, and (3) to develop a set of noise-vibration curves for use as criteria in ride quality design. Subjects were exposed to parametric combinations of noise and vibrations through the use of a realistic laboratory simulator. Results indicated that accurate prediction of passenger ride comfort requires knowledge of both the level and frequency content of the noise and vibration components of a ride environment as well as knowledge of the interactive effects of combined noise and vibration. A design tool in the form of an empirical model of passenger discomfort response to combined noise and vertical vibration was developed and illustrated by several computational examples. Finally, a set of noise-vibration criteria curves were generated to illustrate the fundamental design trade-off possible between passenger discomfort and the noise-vibration levels that produce the discomfort.
NASA Technical Reports Server (NTRS)
Carroll, J. A.
1986-01-01
Some fundamental aspects of tethers are presented and briefly discussed. The effects of gravity gradients, dumbbell libration in circular orbits, tether control strategies and impact hazards for tethers are among those fundamentals. Also considered are aerodynamic drag, constraints in momentum transfer applications and constraints with permanently deployed tethers. The theoretical feasibility of these concepts are reviewed.
Craig, Norman C.; Leyden, Matthew C.; Moore, Michael C.; Patchen, Amie K.; van den Heuvel, Titus; Blake, Thomas A.; Masiello, Tony; Sams, Robert L.
2010-07-01
Assignments of the vibrational fundamentals of cis- and trans-1,3,5-hexatriene are reevaluated with new infrared and Raman spectra and with quantum chemical predictions of intensities and anharmonic frequencies. The rotational structure is analyzed in the high-resolution (0.0013-0.0018 cm -1) infrared spectra of three C-type bands of the trans isomer and two C-type bands of the cis isomer. The bands for the trans isomer are at 1010.96 cm-1 (v14), 900.908 cm-1 (v16), and 683.46 cm-1 (v17). Ground state (GS) rotational constants have been fitted to the combined ground state combination differences (GSCDs) for the three bands of the trans isomer. The bands for the cis isomer are at 907.70 cm-1 (v33) and 587.89 cm-1 (v35). GS rotational constants have been fitted to the combined GSCDs for the two bands of the cis isomer and compared with those obtained from microwave spectroscopy. Small inertial defects in the GSs confirm that both molecules are planar. Upper state rotational constants were fitted for all five bands.
Thermal Vibrational Convection
NASA Astrophysics Data System (ADS)
Gershuni, G. Z.; Lyubimov, D. V.
1998-08-01
Recent increasing awareness of the ways in which vibrational effects can affect low-gravity experiments have renewed interest in the study of thermal vibrational convection across a wide range of fields. For example, in applications where vibrational effects are used to provide active control of heat and mass transfer, such as in heat exchangers, stirrers, mineral separators and crystal growth, a sound understanding of the fundamental theory is required. In Thermal Vibrational Convection, the authors present the theory of vibrational effects caused by a static gravity field, and of fluid flows which appear under vibration in fluid-filled cavities. The first part of the book discusses fluid-filled cavities where the fluid motion only appears in the presence of temperature non-uniformities, while the second considers those situations where the vibrational effects are caused by a non-uniform field. Throughout, the authors concentrate on consideration of high frequency vibrations, where averaging methods can be successfully applied in the study of the phenomena. Written by two of the pioneers in this field, Thermal Vibrational Convection will be of great interest to scientists and engineers working in the many areas that are concerned with vibration, and its effect on heat and mass transfer. These include hydrodynamics, hydro-mechanics, low gravity physics and mechanics, and geophysics. The rigorous approach adopted in presenting the theory of this fascinating and highly topical area will facilitate a greater understanding of the phenomena involved, and will lead to the development of more and better-designed experiments.
Anharmonic Vibrational Analysis for the Propadienylidene Molecule (H2C═C═C:).
Wu, Qunyan; Hao, Qiang; Wilke, Jeremiah J; Simmonett, Andrew C; Yamaguchi, Yukio; Li, Qianshu; Fang, De-Cai; Schaefer, Henry F
2010-10-12
Maier et al. found that photolysis of singlet cyclopropenylidene (1S) in a matrix yields triplet propargylene (2T), which upon further irradiation is converted to singlet propadienylidene (vinylidenecarbene, 3S). Their discovery was followed by interstellar identification of 3S by Cernicharo et al. An accurate quartic force field for propadienylidene (3S) has been determined employing the ab initio coupled-cluster (CC) with single and double excitations and perturbative triple excitations [CCSD(T)] method and the correlation-consistent core-valence quadruple-ζ (cc-pCVQZ) basis set. Utilizing vibrational second-order perturbation theory (VPT2), vibration-rotation coupling constants, rotational constants, centrifugal distortion constants, vibrational anharmonic constants, and fundamental vibrational frequencies are determined. The predicted fundamental frequencies for 3S as well as its (13)C and deuterium isotopologues are in good agreement with experimental values. The theoretical zero-point vibration corrected rotational constants B0 are consistent with experimental values within 0.3% of errors. The isotopic shifts of B0 are in close to exact agreement with experimental observations. The mean absolute deviation between theoretical anharmonic and experimental fundamental vibrational frequencies for 24 modes (excluding CH2 s-str.) is only 2.6 cm(-1). The isotopic shifts of the vibrational frequencies are also in excellent agreement with the available experimental values. However, a large discrepancy is observed for the CH2 symmetric stretch, casting doubt on the experimental assignment for this mode.
VIBRATIONAL SPECTROSCOPIC SENSORS Fundamentals, Instrumentation and Applications
NASA Astrophysics Data System (ADS)
Kraft, Martin
In textbook descriptions of chemical sensors, almost invariably a chemical sensor is described as a combination of a (dumb) transducer and a (smart) recognition layer. The reason for this is that most transducers, while (reasonably) sensitive, have limited analyte specificity. This is in particular true for non-optical, e.g. mass-sensitive or electrochemical systems, but also many optical transducers are as such incapable of distinguishing between different substances. Consequently, to build sensors operational in multicomponent environments, such transducers must be combined with physicochemical, chemical or biochemical recognition systems providing the required analyte specificity. Although advancements have been made in this field over the last years, selective layers are frequently not (yet) up to the demands set by industrial or environmental applications, in particular when operated over prolonged periods of time. Another significant obstacle are cross-sensitivities that may interfere with the analytical accuracy. Together, these limitations restrict the real-world applicability of many otherwise promising chemical sensors.
NASA Technical Reports Server (NTRS)
Green, C.
1971-01-01
Guidelines of the methods and applications used in vibration technology at the MSFC are presented. The purpose of the guidelines is to provide a practical tool for coordination and understanding between industry and government groups concerned with vibration of systems and equipments. Topics covered include measuring, reducing, analyzing, and methods for obtaining simulated environments and formulating vibration specifications. Methods for vibration and shock testing, theoretical aspects of data processing, vibration response analysis, and techniques of designing for vibration are also presented.
Vibration analysis and optimization of sandwich composite with curvilinear fibers
NASA Astrophysics Data System (ADS)
Honda, S.; Narita, Y.
2016-09-01
The present paper develops a shell element based on the refined zigzag theory (RZT) and applies it to the vibration analysis and optimization problem of the composite sandwich plate composed of CFRP skins and soft-cores. The RZT accepts large differences in layer stiffness, and requires less calculation effort than the layer-wise or three-dimensional theories. Numerical results revealed that the present method predicts vibration characteristics of composite sandwich plates with soft-core accurately. Then, shapes of reinforcing fibers in CFRP composite skins are optimized to maximize fundamental frequencies. As an optimizer, the particle swarm optimization (PSO) approach is employed since curvilinear fiber shapes are defined by continuous design variables. Obtained results showed that the composite sandwich with optimum curvilinear fiber shapes indicates higher fundamental frequencies compared with straight fibers.
Webb, R.A.
1995-12-01
The need to have accurate petroleum measurement is obvious. Petroleum measurement is the basis of commerce between oil producers, royalty owners, oil transporters, refiners, marketers, the Department of Revenue, and the motoring public. Furthermore, petroleum measurements are often used to detect operational problems or unwanted releases in pipelines, tanks, marine vessels, underground storage tanks, etc. Therefore, consistent, accurate petroleum measurement is an essential part of any operation. While there are several methods and different types of equipment used to perform petroleum measurement, the basic process stays the same. The basic measurement process is the act of comparing an unknown quantity, to a known quantity, in order to establish its magnitude. The process can be seen in a variety of forms; such as measuring for a first-down in a football game, weighing meat and produce at the grocery, or the use of an automobile odometer.
Redmond, W H
2001-01-01
This chapter outlines current marketing practice from a managerial perspective. The role of marketing within an organization is discussed in relation to efficiency and adaptation to changing environments. Fundamental terms and concepts are presented in an applied context. The implementation of marketing plans is organized around the four P's of marketing: product (or service), promotion (including advertising), place of delivery, and pricing. These are the tools with which marketers seek to better serve their clients and form the basis for competing with other organizations. Basic concepts of strategic relationship management are outlined. Lastly, alternate viewpoints on the role of advertising in healthcare markets are examined.
Hua -Gen Yu; Han, Huixian; Guo, Hua
2016-03-29
Vibrational energy levels of the ammonium cation (NH_{4}^{+}) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH_{4}^{+} and ND_{4}^{+} exhibit a polyad structure, characterized by a collective quantum number P = 2(v_{1} + v_{3}) + v_{2} + v_{4}. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm^{–1}.
NASA Technical Reports Server (NTRS)
Leissa, A. W.
1973-01-01
The vibrational characteristics and mechanical properties of shell structures are discussed. The subjects presented are: (1) fundamental equations of thin shell theory, (2) characteristics of thin circular cylindrical shells, (3) complicating effects in circular cylindrical shells, (4) noncircular cylindrical shell properties, (5) characteristics of spherical shells, and (6) solution of three-dimensional equations of motion for cylinders.
Vibrational autoionization in polyatomic molecules.
Pratt, S T
2005-01-01
The vibrationally autoionizing Rydberg states of small polyatomic molecules provide a fascinating laboratory in which to study fundamental nonadiabatic processes. In this review, recent results on the vibrational mode dependence of vibrational autoionization are discussed. In general, autoionization rates depend strongly on the character of the normal mode driving the process and on the electronic character of the Rydberg electron. Although quantitative calculations based on multichannel quantum defect theory are available for some polyatomic molecules, including H3, only qualitative information exists for most molecules. This review shows how qualitative information, such as Walsh diagrams along different normal coordinates of the molecule, can provide insight into the vibrational autoionization rates.
The origins of vibration theory
NASA Astrophysics Data System (ADS)
Dimarogonas, A. D.
1990-07-01
The Ionian School of natural philosophy introduced the scientific method of dealing with natural phenomena and the rigorous proofs for abstract propositions. Vibration theory was initiated by the Pythagoreans in the fifth century BC, in association with the theory of music and the theory of acoustics. They observed the natural frequency of vibrating systems and proved that it is a system property and that it does not depend on the excitation. Pythagoreans determined the fundamental natural frequencies of several simple systems, such as vibrating strings, pipes, vessels and circular plates. Aristoteles and the Peripatetic School founded mechanics and developed a fundamental understanding of statics and dynamics. In Alexandrian times there were substantial engineering developments in the field of vibration. The pendulum as a vibration, and probably time, measuring device was known in antiquity, and was further developed by the end of the first millennium AD.
Non-uniform beam vibration using Differential Transform Method
NASA Astrophysics Data System (ADS)
Shali, S.; Nagaraja, S. R.; Jafarali, P.
2016-09-01
The paper focuses on the vibration characteristics of non-uniform Euler- Bernoulli beam using Differential Transform Method (DTM). DTM is a numerical method to solve differential equations where the governing equations are reduced into a set of polynomials. Non-uniformity is considered corresponding to linear variation in breadth and height of the beam. The effect of taper ratio on the fundamental frequency of tapered beams is also analysed. The method has proved to be accurate, simple and effective for eigenvalue analysis. For the two cases of non-uniform beam analysed, the frequency computed by the method of differential transform is found to be comparable with the previously available results.
Beć, Krzysztof B; Grabska, Justyna; Ozaki, Yukihiro; Hawranek, Jerzy P; Huck, Christian W
2017-02-23
Fundamental and non-fundamental vibrational modes, first overtones, and binary combination modes of selected aliphatic ethers (di-n-propylether, di-iso-propylether, n-butylmethyl ether, n-butylethyl ether, di-n-butyl ether, tert-buytlmethyl ether, and tert-amylmethyl ether) were modeled in a fully anharmonic generalized second-order vibrational perturbation theory (GVPT2) approach on the DFT-B2PLYP/SNST level. The modeling procedure of theoretical line shapes took into account conformational isomers of studied molecules. The calculated spectra of the above ethers were compared to the corresponding experimental spectra in the infrared (IR) region (4000-560 cm(-1)) of the absorption index k(ν) derived from the neat liquid thin-film transmission data. It was found that IR spectra of aliphatic ethers are heavily influenced by the bands originating from non-fundamental modes, particularly from the combination modes in the C-H stretching region (3200-2800 cm(-1)). Because of the effects of vibrational resonances, the intensities of overtones and combination bands originating from methyl and methylene deformation modes increase sufficiently to influence the experimental line shape in this region. Less significant contributions from non-fundamental vibrational modes were noticed in the lower IR region (1600-560 cm(-1)), particularly in the vicinity of the C-O stretching band. The 2700-1600 cm(-1) region, which is rich in weak bands due to non-fundamental vibrations, was reproduced accurately as well. It was concluded that a fully anharmonic approach allows significantly more accurate reproduction of the complex IR line shapes, particularly in the C-H stretching region of aliphatic ethers. On the basis of the achieved agreement between the experimental and calculated spectra, it may be concluded that the anharmonic GVPT2 method can adequately reproduce the anharmonic effects and vibrational resonances in particular, influencing the IR spectra of aliphatic ethers. The
Diode Laser Spectrum of the ν 1 Fundamental Band of PNO
NASA Astrophysics Data System (ADS)
Liu, Yuyan; Hamilton, P. A.; Davies, P. B.
2002-01-01
The diode laser spectrum of the ν1 fundamental band of the short-lived molecule PNO has been detected with 59 R- and P-branch lines accurately measured. The lines were unambiguously assigned using the rotational and distortion constants for the ground and (100) vibrational levels found previously by microwave spectroscopy. The band origin was determined to be 860.301 228(31) cm-1 from a one parameter fit. The gas phase band origin is red-shifted by approximately 4 cm-1 from the matrix value.
Discomfort criteria for single-axis vibrations
NASA Technical Reports Server (NTRS)
Dempsey, T. K.; Leatherwood, J. D.; Clevenson, S. A.
1979-01-01
Experimental investigations were conducted to determine the fundamental relationships governing human subjective discomfort response to single-axis vibrations. The axes investigated were vertical, lateral, longitudinal, roll, and pitch, and the vibrations used were both sinusoidal and random in nature. Results of these investigations provided the basis for: (1) development of a scale of passenger discomfort that is common to all axes of vibration; and (2) generation of discomfort criteria for each axis of each axis and for both types of vibration. Furthermore, empirical equations describing discomfort responses within each axis of vibration are included.
Hauth, J.J.
1962-07-01
A method of compacting a powder in a metal container is described including the steps of vibrating the container at above and below the resonant frequency and also sweeping the frequency of vibration across the resonant frequency several times thereby following the change in resonant frequency caused by compaction of the powder. (AEC)
NASA Technical Reports Server (NTRS)
Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.
2012-01-01
The A 1B1 <-1A0 excitation into the dipole-bound state of the cyanomethyl anion (CH2CN??) has been hypothesized as the carrier for one di use interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study we are employing the use of proven quartic force elds and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for X 1A0 CH2CN?? in order to assist in laboratory studies and astronomical observations. Keywords: Astrochemistry, ISM: molecular anions, Quartic force elds, Rotational constants, Vibrational frequencies
Vibrational energies for HFCO using a neural network sum of exponentials potential energy surface.
Pradhan, Ekadashi; Brown, Alex
2016-05-07
A six-dimensional potential energy surface (PES) for formyl fluoride (HFCO) is fit in a sum-of-products form using neural network exponential fitting functions. The ab initio data upon which the fit is based were computed at the explicitly correlated coupled cluster with single, double, and perturbative triple excitations [CCSD(T)-F12]/cc-pVTZ-F12 level of theory. The PES fit is accurate (RMSE = 10 cm(-1)) up to 10 000 cm(-1) above the zero point energy and covers most of the experimentally measured IR data. The PES is validated by computing vibrational energies for both HFCO and deuterated formyl fluoride (DFCO) using block improved relaxation with the multi-configuration time dependent Hartree approach. The frequencies of the fundamental modes, and all other vibrational states up to 5000 cm(-1) above the zero-point energy, are more accurate than those obtained from the previous MP2-based PES. The vibrational frequencies obtained on the PES are compared to anharmonic frequencies at the MP2/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTZ levels of theory obtained using second-order vibrational perturbation theory. The new PES will be useful for quantum dynamics simulations for both HFCO and DFCO, e.g., studies of intramolecular vibrational redistribution leading to unimolecular dissociation and its laser control.
Machinery vibration: Origins, impressions and cures
Haq, I. )
1995-01-01
The current trend toward high performance (speed, power, flow, etc.) and low eight are causing new machinery dynamics problems. Vibration diagnostics engineering of rotor-bearing-casing systems must consider both internal and external influences to effectively predict and diagnose these problems. It is assumed that machinery vibration data are free from ambiguity, error, conform to a standard and clearly identify the physical cause(s) responsible for vibration. Rotor vibration due to internal forces are described: unbalance force characteristics; response characteristics; and rules of rotor fundamental response. Rotor vibration due to external forces include: rotating aerodynamic stall; oil whirl; oil whip; structural resonance; vane/blade passing vibration; misalignment; rotor rubbing; gear mesh vibrations; and shaft crack. These are also discussed.
The vibrational frequencies of difluoroethyne
NASA Technical Reports Server (NTRS)
Breidung, Juergen; Schneider, Winfried; Thiel, Walter; Lee, Timothy J.
1992-01-01
Ab initio coupled-cluster calculations with single and double excitations and with a perturbational treatment of connected triple excitations are reported for difluoroethyne using large basis sets. The results for the transbending mode nu-4 are extremely sensitive to electron correlation and basis set effects. The best theoretical and experimental estimates for the fundamental vibrational frequencies are in excellent agreement.
Lerwill, W.E.
1980-09-16
Apparatus for generating vibrations in a medium, such as the ground, comprises a first member which contacts the medium, means , preferably electromagnetic, which includes two relatively movable members for generating vibrations in the apparatus and means operatively connecting the said two members to said first member such that the relatively amplitudes of the movements of said three members can be adjusted to match the impedances of the apparatus and the medium.
Analysis of potential helicopter vibration reduction concepts
NASA Technical Reports Server (NTRS)
Landgrebe, A. J.; Davis, M. W.
1985-01-01
Results of analytical investigations to develop, understand, and evaluate potential helicopter vibration reduction concepts are presented in the following areas: identification of the fundamental sources of vibratory loads, blade design for low vibration, application of design optimization techniques, active higher harmonic control, blade appended aeromechanical devices, and the prediction of vibratory airloads. Primary sources of vibration are identified for a selected four-bladed articulated rotor operating in high speed level flight. The application of analytical design procedures and optimization techniques are shown to have the potential for establishing reduced vibration blade designs through variations in blade mass and stiffness distributions, and chordwise center-of-gravity location.
NASA Technical Reports Server (NTRS)
Messaro. Semma; Harrison, Phillip
2010-01-01
Ares I Zonal Random vibration environments due to acoustic impingement and combustion processes are develop for liftoff, ascent and reentry. Random Vibration test criteria for Ares I Upper Stage pyrotechnic components are developed by enveloping the applicable zonal environments where each component is located. Random vibration tests will be conducted to assure that these components will survive and function appropriately after exposure to the expected vibration environments. Methodology: Random Vibration test criteria for Ares I Upper Stage pyrotechnic components were desired that would envelope all the applicable environments where each component was located. Applicable Ares I Vehicle drawings and design information needed to be assessed to determine the location(s) for each component on the Ares I Upper Stage. Design and test criteria needed to be developed by plotting and enveloping the applicable environments using Microsoft Excel Spreadsheet Software and documenting them in a report Using Microsoft Word Processing Software. Conclusion: Random vibration liftoff, ascent, and green run design & test criteria for the Upper Stage Pyrotechnic Components were developed by using Microsoft Excel to envelope zonal environments applicable to each component. Results were transferred from Excel into a report using Microsoft Word. After the report is reviewed and edited by my mentor it will be submitted for publication as an attachment to a memorandum. Pyrotechnic component designers will extract criteria from my report for incorporation into the design and test specifications for components. Eventually the hardware will be tested to the environments I developed to assure that the components will survive and function appropriately after exposure to the expected vibration environments.
Testing Our Fundamental Assumptions
NASA Astrophysics Data System (ADS)
Kohler, Susanna
2016-06-01
fundamental assumptions.A recent focus set in the Astrophysical Journal Letters, titled Focus on Exploring Fundamental Physics with Extragalactic Transients, consists of multiple published studies doing just that.Testing General RelativitySeveral of the articles focus on the 4th point above. By assuming that the delay in photon arrival times is only due to the gravitational potential of the Milky Way, these studies set constraints on the deviation of our galaxys gravitational potential from what GR would predict. The study by He Gao et al. uses the different photon arrival times from gamma-ray bursts to set constraints at eVGeV energies, and the study by Jun-Jie Wei et al. complements this by setting constraints at keV-TeV energies using photons from high-energy blazar emission.Photons or neutrinos from different extragalactic transients each set different upper limits on delta gamma, the post-Newtonian parameter, vs. particle energy or frequency. This is a test of Einsteins equivalence principle: if the principle is correct, delta gamma would be exactly zero, meaning that photons of different energies move at the same velocity through a vacuum. [Tingay Kaplan 2016]S.J. Tingay D.L. Kaplan make the case that measuring the time delay of photons from fast radio bursts (FRBs; transient radio pulses that last only a few milliseconds) will provide even tighter constraints if we are able to accurately determine distances to these FRBs.And Adi Musser argues that the large-scale structure of the universe plays an even greater role than the Milky Way gravitational potential, allowing for even stricter testing of Einsteins equivalence principle.The ever-narrower constraints from these studies all support GR as a correct set of rules through which to interpret our universe.Other Tests of Fundamental PhysicsIn addition to the above tests, Xue-Feng Wu et al. show that FRBs can be used to provide severe constraints on the rest mass of the photon, and S. Croft et al. even touches on what we
PREFACE: Vibrations at surfaces Vibrations at surfaces
NASA Astrophysics Data System (ADS)
Rahman, Talat S.
2011-12-01
Central Florida, Orlando, in March 2010. Several speakers at this meeting were invited to contribute to the special section in this issue. As is clear from the articles in this special section, the phenomenon of vibrations at surfaces continues to be a dynamic field of investigation. In fact, there is a resurgence of effort because the insights provided by surface dynamics are still fundamental to the development of an understanding of the microscopic factors that control surface structure formation, diffusion, reaction and structural stability. Examination of dynamics at surfaces thus complements and supplements the wealth of information that is obtained from real-space techniques such as scanning tunneling microscopy. Vibrational dynamics is, of course, not limited to surfaces. Surfaces are important since they provide immediate deviation from the bulk. They display how lack of symmetry can lead to new structures, new local atomic environments and new types of dynamical modes. Nanoparticles, large molecules and nanostructures of all types, in all kinds of local environments, provide further examples of regions of reduced symmetry and coordination, and hence display characteristic vibrational modes. Given the tremendous advance in the synthesis of a variety of nanostructures whose functionalization would pave the way for nanotechnology, there is even greater need to engage in experimental and theoretical techniques that help extract their vibrational dynamics. Such knowledge would enable a more complete understanding and characterization of these nanoscale systems than would otherwise be the case. The papers presented here provide excellent examples of the kind of information that is revealed by vibrations at surfaces. Vibrations at surface contents Poisoning and non-poisoning oxygen on Cu(410)L Vattuone, V Venugopal, T Kravchuk, M Smerieri, L Savio and M Rocca Modifying protein adsorption by layers of glutathione pre-adsorbed on Au(111)Anne Vallée, Vincent Humblot
Coupling between plate vibration and acoustic radiation
NASA Technical Reports Server (NTRS)
Frendi, Abdelkader; Maestrello, Lucio; Bayliss, Alvin
1992-01-01
A detailed numerical investigation of the coupling between the vibration of a flexible plate and the acoustic radiation is performed. The nonlinear Euler equations are used to describe the acoustic fluid while the nonlinear plate equation is used to describe the plate vibration. Linear, nonlinear, and quasi-periodic or chaotic vibrations and the resultant acoustic radiation are analyzed. We find that for the linear plate response, acoustic coupling is negligible. However, for the nonlinear and chaotic responses, acoustic coupling has a significant effect on the vibration level as the loading increases. The radiated pressure from a plate undergoing nonlinear or chaotic vibrations is found to propagate nonlinearly into the far-field. However, the nonlinearity due to wave propagation is much weaker than that due to the plate vibrations. As the acoustic wave propagates into the far-field, the relative difference in level between the fundamental and its harmonics and subharmonics decreases with distance.
Coupling between plate vibration and acoustic radiation
NASA Technical Reports Server (NTRS)
Frendi, Abdelkader; Maestrello, Lucio; Bayliss, Alvin
1993-01-01
A detailed numerical investigation of the coupling between the vibration of a flexible plate and the acoustic radiation is performed. The nonlinear Euler equations are used to describe the acoustic fluid while the nonlinear plate equation is used to describe the plate vibration. Linear, nonlinear, and quasi-periodic or chaotic vibrations and the resultant acoustic radiation are analyzed. We find that for the linear plate response, acoustic coupling is negligible. However, for the nonlinear and chaotic responses, acoustic coupling has a significant effect on the vibration level as the loading increases. The radiated pressure from a plate undergoing nonlinear or chaotic vibrations is found to propagate nonlinearly into the far field. However, the nonlinearity due to wave propagation is much weaker than that due to the plate vibrations. As the acoustic wave propagates into the far field, the relative difference in level between the fundamental and its harmonics and subharmonics decreases with distance.
Fundamentals of Condensed Matter Physics
NASA Astrophysics Data System (ADS)
Cohen, Marvin L.; Louie, Steven G.
2016-05-01
Part I. Basic Concepts: Electrons and Phonons: 1. Concept of a solid: qualitative introduction and overview; 2. Electrons in crystals; 3. Electronic energy bands; 4. Lattice vibrations and phonons; Part II. Electron Intercations, Dynamics and Responses: 5. Electron dynamics in crystals; 6. Many-electron interactions: the interacting electron gas and beyond; 7. Density functional theory; 8. The dielectric function for solids; Part III. Optical and Transport Phenomena: 9. Electronic transitions and optical properties of solids; 10. Electron-phonon interactions; 11. Dynamics of crystal electrons in a magnetic field; 12. Fundamentals of transport phenomena in solids; Part IV. Superconductivity, Magnetism, and Lower Dimensional Systems: 13. Using many-body techniques; 14. Superconductivity; 15. Magnetism; 16. Reduced-dimensional systems and nanostructures; Index.
Combustion Fundamentals Research
NASA Technical Reports Server (NTRS)
1983-01-01
Increased emphasis is placed on fundamental and generic research at Lewis Research Center with less systems development efforts. This is especially true in combustion research, where the study of combustion fundamentals has grown significantly in order to better address the perceived long term technical needs of the aerospace industry. The main thrusts for this combustion fundamentals program area are as follows: analytical models of combustion processes, model verification experiments, fundamental combustion experiments, and advanced numeric techniques.
Accurate ab initio Quartic Force Fields of Cyclic and Bent HC2N Isomers
NASA Technical Reports Server (NTRS)
Inostroza, Natalia; Huang, Xinchuan; Lee, Timothy J.
2012-01-01
Highly correlated ab initio quartic force field (QFFs) are used to calculate the equilibrium structures and predict the spectroscopic parameters of three HC2N isomers. Specifically, the ground state quasilinear triplet and the lowest cyclic and bent singlet isomers are included in the present study. Extensive treatment of correlation effects were included using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T). Dunning s correlation-consistent basis sets cc-pVXZ, X=3,4,5, were used, and a three-point formula for extrapolation to the one-particle basis set limit was used. Core-correlation and scalar relativistic corrections were also included to yield highly accurate QFFs. The QFFs were used together with second-order perturbation theory (with proper treatment of Fermi resonances) and variational methods to solve the nuclear Schr dinger equation. The quasilinear nature of the triplet isomer is problematic, and it is concluded that a QFF is not adequate to describe properly all of the fundamental vibrational frequencies and spectroscopic constants (though some constants not dependent on the bending motion are well reproduced by perturbation theory). On the other hand, this procedure (a QFF together with either perturbation theory or variational methods) leads to highly accurate fundamental vibrational frequencies and spectroscopic constants for the cyclic and bent singlet isomers of HC2N. All three isomers possess significant dipole moments, 3.05D, 3.06D, and 1.71D, for the quasilinear triplet, the cyclic singlet, and the bent singlet isomers, respectively. It is concluded that the spectroscopic constants determined for the cyclic and bent singlet isomers are the most accurate available, and it is hoped that these will be useful in the interpretation of high-resolution astronomical observations or laboratory experiments.
Accurate ab initio quartic force fields of cyclic and bent HC2N isomers.
Inostroza, Natalia; Huang, Xinchuan; Lee, Timothy J
2011-12-28
Highly correlated ab initio quartic force fields (QFFs) are used to calculate the equilibrium structures and predict the spectroscopic parameters of three HC(2)N isomers. Specifically, the ground state quasilinear triplet and the lowest cyclic and bent singlet isomers are included in the present study. Extensive treatment of correlation effects were included using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted as CCSD(T). Dunning's correlation-consistent basis sets cc-pVXZ, X = 3,4,5, were used, and a three-point formula for extrapolation to the one-particle basis set limit was used. Core-correlation and scalar relativistic corrections were also included to yield highly accurate QFFs. The QFFs were used together with second-order perturbation theory (PT) (with proper treatment of Fermi resonances) and variational methods to solve the nuclear Schrödinger equation. The quasilinear nature of the triplet isomer is problematic, and it is concluded that a QFF is not adequate to describe properly all of the fundamental vibrational frequencies and spectroscopic constants (though some constants not dependent on the bending motion are well reproduced by PT). On the other hand, this procedure (a QFF together with either PT or variational methods) leads to highly accurate fundamental vibrational frequencies and spectroscopic constants for the cyclic and bent singlet isomers of HC(2)N. All three isomers possess significant dipole moments, 3.05 D, 3.06 D, and 1.71 D, for the quasilinear triplet, the cyclic singlet, and the bent singlet isomers, respectively. It is concluded that the spectroscopic constants determined for the cyclic and bent singlet isomers are the most accurate available, and it is hoped that these will be useful in the interpretation of high-resolution astronomical observations or laboratory experiments.
Exchange Rates and Fundamentals.
ERIC Educational Resources Information Center
Engel, Charles; West, Kenneth D.
2005-01-01
We show analytically that in a rational expectations present-value model, an asset price manifests near-random walk behavior if fundamentals are I (1) and the factor for discounting future fundamentals is near one. We argue that this result helps explain the well-known puzzle that fundamental variables such as relative money supplies, outputs,…
Chaotic vortex induced vibrations
Zhao, J.; Sheridan, J.; Leontini, J. S.; Lo Jacono, D.
2014-12-15
This study investigates the nature of the dynamic response of an elastically mounted cylinder immersed in a free stream. A novel method is utilized, where the motion of the body during a free vibration experiment is accurately recorded, and then a second experiment is conducted where the cylinder is externally forced to follow this recorded trajectory. Generally, the flow response during both experiments is identical. However, particular regimes exist where the flow response is significantly different. This is taken as evidence of chaos in these regimes.
Fourth-Order Vibrational Transition State Theory and Chemical Kinetics
NASA Astrophysics Data System (ADS)
Stanton, John F.; Matthews, Devin A.; Gong, Justin Z.
2015-06-01
Second-order vibrational perturbation theory (VPT2) is an enormously successful and well-established theory for treating anharmonic effects on the vibrational levels of semi-rigid molecules. Partially as a consequence of the fact that the theory is exact for the Morse potential (which provides an appropriate qualitative model for stretching anharmonicity), VPT2 calculations for such systems with appropriate ab initio potential functions tend to give fundamental and overtone levels that fall within a handful of wavenumbers of experimentally measured positions. As a consequence, the next non-vanishing level of perturbation theory -- VPT4 -- offers only slight improvements over VPT2 and is not practical for most calculations since it requires information about force constants up through sextic. However, VPT4 (as well as VPT2) can be used for other applications such as the next vibrational correction to rotational constants (the ``gammas'') and other spectroscopic parameters. In addition, the marriage of VPT with the semi-classical transition state theory of Miller (SCTST) has recently proven to be a powerful and accurate treatment for chemical kinetics. In this talk, VPT4-based SCTST tunneling probabilities and cumulative reaction probabilities are give for the first time for selected low-dimensional model systems. The prospects for VPT4, both practical and intrinsic, will also be discussed.
Vibration dampener for dampening vibration of a tubular member
Obermeyer, F.D.; Middlebrooks, W.B.; DeMario, E.E.
1994-10-18
Vibration dampener for dampening vibration of a tubular member, such as an instrumentation tube of the type found in nuclear reactor pressure vessels is disclosed. The instrumentation tube is received in an outer tubular member, such as a guide thimble tube. The vibration dampener comprises an annular sleeve which is attachable to the inside surface of the guide thimble tube and which is sized to surround the instrumentation tube. Dimples are attached to the interior wall of the sleeve for radially supporting the instrumentation tube. The wall of the sleeve has a flexible spring member, which is formed from the wall, disposed opposite the dimples for biasing the instrumentation tube into abutment with the dimples. Flow-induced vibration of the instrumentation tube will cause it to move out of contact with the dimples and further engage the spring member, which will flex a predetermined amount and exert a reactive force against the instrumentation tube to restrain its movement. The amount by which the spring member will flex is less than the unrestrained amplitude of vibration of the instrumentation tube. The reactive force exerted against the instrumentation tube will be sufficient to return it to its original axial position within the thimble tube. In this manner, vibration of the instrumentation tube is dampened so that in-core physics measurements are accurate and so that the instrumentation tube will not wear against the inside surface of the guide thimble tube. 14 figs.
Vibration dampener for dampening vibration of a tubular member
Obermeyer, Franklin D.; Middlebrooks, Willis B.; DeMario, Edmund E.
1994-01-01
Vibration dampener for dampening vibration of a tubular member, such as an instrumentation tube of the type found in nuclear reactor pressure vessels. The instrumentation tube is received in an outer tubular member, such as a guide thimble tube. The vibration dampener comprises an annular sleeve which is attachable to the inside surface of the guide thimble tube and which is sized to surround the instrumentation tube. Dimples are attached to the interior wall of the sleeve for radially supporting the instrumentation tube. The wall of the sleeve has a flexible spring member, which is formed from the wall, disposed opposite the dimples for biasing the instrumentation tube into abutment with the dimples. Flow-induced vibration of the instrumentation tube will cause it to move out of contact with the dimples and further engage the spring member, which will flex a predetermined amount and exert a reactive force against the instrumentation tube to restrain its movement. The amount by which the spring member will flex is less than the unrestrained amplitude of vibration of the instrumentation tube. The reactive force exerted against the instrumentation tube will be sufficient to return it to its original axial position within the thimble tube. In this manner, vibration of the instrumentation tube is dampened so that in-core physics measurements are accurate and so that the instrumentation tube will not wear against the inside surface of the guide thimble tube.
A highly accurate ab initio potential energy surface for methane
NASA Astrophysics Data System (ADS)
Owens, Alec; Yurchenko, Sergei N.; Yachmenev, Andrey; Tennyson, Jonathan; Thiel, Walter
2016-09-01
A new nine-dimensional potential energy surface (PES) for methane has been generated using state-of-the-art ab initio theory. The PES is based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set limit and incorporates a range of higher-level additive energy corrections. These include core-valence electron correlation, higher-order coupled cluster terms beyond perturbative triples, scalar relativistic effects, and the diagonal Born-Oppenheimer correction. Sub-wavenumber accuracy is achieved for the majority of experimentally known vibrational energy levels with the four fundamentals of 12CH4 reproduced with a root-mean-square error of 0.70 cm-1. The computed ab initio equilibrium C-H bond length is in excellent agreement with previous values despite pure rotational energies displaying minor systematic errors as J (rotational excitation) increases. It is shown that these errors can be significantly reduced by adjusting the equilibrium geometry. The PES represents the most accurate ab initio surface to date and will serve as a good starting point for empirical refinement.
Vibrational dynamics of DNA. I. Vibrational basis modes and couplings
NASA Astrophysics Data System (ADS)
Lee, Chewook; Park, Kwang-Hee; Cho, Minhaeng
2006-09-01
Carrying out density functional theory calculations of four DNA bases, base derivatives, Watson-Crick (WC) base pairs, and multiple-layer base pair stacks, we studied vibrational dynamics of delocalized modes with frequency ranging from 1400to1800cm-1. These modes have been found to be highly sensitive to structure fluctuation and base pair conformation of DNA. By identifying eight fundamental basis modes, it is shown that the normal modes of base pairs and multilayer base pair stacks can be described by linear combinations of these vibrational basis modes. By using the Hessian matrix reconstruction method, vibrational coupling constants between the basis modes are determined for WC base pairs and multilayer systems and are found to be most strongly affected by the hydrogen bonding interaction between bases. It is also found that the propeller twist and buckle motions do not strongly affect vibrational couplings and basis mode frequencies. Numerically simulated IR spectra of guanine-cytosine and adenine-thymine bases pairs as well as of multilayer base pair stacks are presented and described in terms of coupled basis modes. It turns out that, due to the small interlayer base-base vibrational interactions, the IR absorption spectrum of multilayer base pair system does not strongly depend on the number of base pairs.
Monitoring Bearing Vibrations For Signs Of Damage
NASA Technical Reports Server (NTRS)
Martinez, Carol L.
1991-01-01
Real-time spectral analysis of vibrations being developed for use in monitoring conditions of critical bearings in rotating machinery. Underlying concept simple and fairly well established: appearance and growth of vibrations at frequencies associated with rotations of various parts of bearing system indicate wear, damage, and imperfections of manufacture. Frequencies include fundamental and harmonics of frequency of rotation of ball cage, frequency of passage of balls, and frequency of rotation of shaft.
Anharmonic Vibrational Frequency Calculations Are Not Worthwhile for Small Basis Sets.
Jacobsen, Ruth L; Johnson, Russell D; Irikura, Karl K; Kacker, Raghu N
2013-02-12
Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio potential energy functions. However, performance with economical, popular electronic structure methods is less well characterized. We compare the accuracy of harmonic and anharmonic predictions from Hartree-Fock, second-order perturbation, and density functional theories combined with 6-31G(d) and 6-31+G(d,p) basis sets. As expected, anharmonic frequencies are closer than harmonic frequencies to experimental fundamentals. However, common practice is to correct harmonic predictions using multiplicative scaling. The surprising conclusion is that scaled anharmonic calculations are no more accurate than scaled harmonic calculations for the basis sets we used. The data used are from the Computational Chemistry Comparison and Benchmark Database (CCCBDB), maintained by the National Institute of Standards and Technology, which includes more than 3939 independent vibrations for 358 molecules.
Zhang, Hui; Zhang, Shu-Yi; Fan, Li
2010-03-01
Based on the Rayleigh energy theory combining with Timoshenko beam model, the flexural vibration characteristics of piezoelectric tubes in ultrasonic micro-actuators are investigated. Additionally, the simplified formulae are derived to study the fundamental flexural resonance frequencies of the piezoelectric tubes with free-free ends and cantilevers. By changing the sizes of the tubes and the mass loads at the free ends, the variations of the flexural resonance frequencies of the piezoelectric tubes and cantilevers are calculated theoretically. To verify accuracy of the simplified formulae, by changing the lengths of the tubes and the mass loads the flexural resonance frequencies of the piezoelectric tube with free-free ends are measured experimentally. The theoretical results agree well with the experimental measurements, which demonstrate that the simplified formulae are accurate and effective for analyzing the flexural vibration characteristics of the piezoelectric tubes in the ultrasonic micro-actuators.
NASA Astrophysics Data System (ADS)
Ramakrishnan, Manjusha; Rajan, Ginu; Semenova, Yuliya; Callaghan, Dean; Farrell, Gerald
2014-04-01
Glass fiber reinforced composite material beams embedded with two types of polarimetric sensors are fabricated by the hand layup method and characterized. Two types of polarimetric sensors, a high strain sensitive Panda type fiber and a low strain sensitive polarization maintaining photonic crystal fiber (PM-PCF), are compared for low frequency vibration measurements from 0 to 100 Hz. Different lengths of glass fiber reinforced composite samples with embedded polarimetric sensors are fabricated and compared for different vibration amplitudes and vibration frequencies. The influence of the vibration amplitude of the composite beams on the accuracy of vibration measurements using the two types of polarimetric sensors is investigated. At high amplitude vibrations the low strain sensitive PM-PCF polarimetric sensors offer a wider linear range and thus reproduce the vibration frequency and vibration amplitude accurately. However for high amplitude vibrations the high sensitivity and low dynamic strain range of Panda type fibers result in a multiple-peak intensity pattern within one vibration cycle which leads to inaccurate vibration frequency and vibration amplitude measurements. The experimental results show that the strain sensitivity of polarimetric sensors limits the vibration measurements to a certain range of vibration amplitudes. The vibration amplitude range over which the polarimetric sensors provide accurate information about the vibration frequency is experimentally investigated and the results are presented. Also, for a composite beam undergoing deflections in the ‘simply-simply supported’ configuration, a theoretical method to predict the allowable maximum measurable vibration amplitude for any type of polarimetric sensor, is derived in this paper. It is envisaged that the results from the studies will provide significant information, which can be used in composite material applications such as marine and aerospace for selecting an appropriate type and
A fast and accurate frequency estimation algorithm for sinusoidal signal with harmonic components
NASA Astrophysics Data System (ADS)
Hu, Jinghua; Pan, Mengchun; Zeng, Zhidun; Hu, Jiafei; Chen, Dixiang; Tian, Wugang; Zhao, Jianqiang; Du, Qingfa
2016-10-01
Frequency estimation is a fundamental problem in many applications, such as traditional vibration measurement, power system supervision, and microelectromechanical system sensors control. In this paper, a fast and accurate frequency estimation algorithm is proposed to deal with low efficiency problem in traditional methods. The proposed algorithm consists of coarse and fine frequency estimation steps, and we demonstrate that it is more efficient than conventional searching methods to achieve coarse frequency estimation (location peak of FFT amplitude) by applying modified zero-crossing technique. Thus, the proposed estimation algorithm requires less hardware and software sources and can achieve even higher efficiency when the experimental data increase. Experimental results with modulated magnetic signal show that the root mean square error of frequency estimation is below 0.032 Hz with the proposed algorithm, which has lower computational complexity and better global performance than conventional frequency estimation methods.
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Dateo, Christopher E.; Schwenke, David W.; Chaban, Galina M.
2005-01-01
Accurate quartic force fields have been determined for the CCH- and NH2- molecular anions using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). Very large one-particle basis sets have been used including diffuse functions and up through g-type functions. Correlation of the nitrogen and carbon core electrons has been included, as well as other "small" effects, such as the diagonal Born-Oppenheimer correction, and basis set extrapolation, and corrections for higher-order correlation effects and scalar relativistic effects. Fundamental vibrational frequencies have been computed using standard second-order perturbation theory as well as variational methods. Comparison with the available experimental data is presented and discussed. The implications of our research for the astronomical observation of molecular anions will be discussed.
Puzzarini, Cristina; Ali, Ashraf; Biczysko, Malgorzata; Barone, Vincenzo
2015-01-01
An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm−1 for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan’s atmosphere but also in the interstellar medium. PMID:26543241
Ultrasound vibrometry using orthogonal- frequency-based vibration pulses.
Zheng, Yi; Yao, Aiping; Chen, Shigao; Urban, Matthew W; Lin, Haoming; Chen, Xin; Guo, Yanrong; Chen, Ke; Wang, Tianfu; Chen, Siping
2013-11-01
New vibration pulses are developed for shear wave generation in a tissue region with preferred spectral distributions for ultrasound vibrometry applications. The primary objective of this work is to increase the frequency range of detectable harmonics of the shear wave. The secondary objective is to reduce the required peak intensity of transmitted pulses that induce the vibrations and shear waves. Unlike the periodic binary vibration pulses, the new vibration pulses have multiple pulses in one fundamental period of the vibration. The pulses are generated from an orthogonal-frequency wave composed of several sinusoidal signals, the amplitudes of which increase with frequency to compensate for higher loss at higher frequency in tissues. The new method has been evaluated by studying the shear wave propagation in in vitro chicken and swine liver. The experimental results show that the new vibration pulses significantly increase tissue vibration with a reduced peak ultrasound intensity, compared with the binary vibration pulses.
Fundamental Physical Constants
National Institute of Standards and Technology Data Gateway
SRD 121 CODATA Fundamental Physical Constants (Web, free access) This site, developed in the Physics Laboratory at NIST, addresses three topics: fundamental physical constants, the International System of Units (SI), which is the modern metric system, and expressing the uncertainty of measurement results.
NASA Astrophysics Data System (ADS)
Halliday, David; Resnick, Robert; Walker, Jearl
2003-01-01
No other book on the market today can match the success of Halliday, Resnick and Walker's Fundamentals of Physics! In a breezy, easy-to-understand style the book offers a solid understanding of fundamental physics concepts, and helps readers apply this conceptual understanding to quantitative problem solving.
Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump
NASA Astrophysics Data System (ADS)
Zhang, Zhengyi; Liu, Chuntong; Li, Hongcai; He, Zhenxin; Zhao, Xiaofeng
2017-03-01
In view of the existing electrical vibration monitoring traditional hydraulic pump vibration sensor, the high false alarm rate is susceptible to electromagnetic interference and is not easy to achieve long-term reliable monitoring, based on the design of a beam of the uniform strength structure of the fiber Bragg grating (FBG) vibration sensor. In this paper, based on the analysis of the vibration theory of the equal strength beam, the principle of FBG vibration tuning based on the equal intensity beam is derived. According to the practical application of the project, the structural dimensions of the equal strength beam are determined, and the optimization design of the vibrator is carried out. The finite element analysis of the sensor is carried out by ANSYS, and the first order resonant frequency is 94.739 Hz. The vibration test of the sensor is carried out by using the vibration frequency of 35 Hz and the vibration source of 50 Hz. The time domain and frequency domain analysis results of test data show that the sensor has good dynamic response characteristics, which can realize the accurate monitoring of the vibration frequency and meet the special requirements of vibration monitoring of hydraulic pump under specific environment.
Modular Wideband Active Vibration Absorber
NASA Technical Reports Server (NTRS)
Smith, David R.; Zewari, Wahid; Lee, Kenneth Y.
1999-01-01
A comparison of space experiments with previous missions shows a common theme. Some of the recent experiments are based on the scientific fundamentals of instruments of prior years. However, the main distinguishing characteristic is the embodiment of advances in engineering and manufacturing in order to extract clearer and sharper images and extend the limits of measurement. One area of importance to future missions is providing vibration free observation platforms at acceptable costs. It has been shown by researchers that vibration problems cannot be eliminated by passive isolation techniques alone. Therefore, various organizations have conducted research in the area of combining active and passive vibration control techniques. The essence of this paper is to present progress in what is believed to be a new concept in this arena. It is based on the notion that if one active element in a vibration transmission path can provide a reasonable vibration attenuation, two active elements in series may provide more control options and better results. The paper presents the functions of a modular split shaft linear actuator developed by NASA's Goddard Space Flight Center and University of Massachusetts Lowell. It discusses some of the control possibilities facilitated by the device. Some preliminary findings and problems are also discussed.
Experimental characterization of a nonlinear vibration absorber using free vibration
NASA Astrophysics Data System (ADS)
Tang, Bin; Brennan, M. J.; Gatti, G.; Ferguson, N. S.
2016-04-01
Knowledge of the nonlinear characteristics of a vibration absorber is important if its performance is to be predicted accurately when connected to a host structure. This can be achieved theoretically, but experimental validation is necessary to verify the modelling procedure and assumptions. This paper describes the characterization of such an absorber using a novel experimental procedure. The estimation method is based on a free vibration test, which is appropriate for a lightly damped device. The nonlinear absorber is attached to a shaker which is operated such that the shaker works in its mass-controlled regime, which means that the shaker dynamics, which are also included in the measurement, are considerably simplified, which facilitates a simple estimation of the absorber properties. From the free vibration time history, the instantaneous amplitude and instantaneous damped natural frequency are estimated using the Hilbert transform. The stiffness and damping of the nonlinear vibration absorber are then estimated from these quantities. The results are compared with an analytical solution for the free vibration of the nonlinear system with cubic stiffness and viscous damping, which is also derived in the paper using an alternative approach to the conventional perturbation methods. To further verify the approach, the results are compared with a method in which the internal forces are balanced at each measured instant in time.
Vibrational relaxation of anharmonic oscillators in expanding flows
NASA Technical Reports Server (NTRS)
Ruffin, Stephen M.; Park, Chul
1992-01-01
Although the Landau-Teller vibrational model accurately predicts vibrational excitation process in post-shock and compressing flows, it under-predicts the rate of de-excitation in cooling and expanding flows. In the present paper, detailed calculations of the vibrational relaxation process of N2 and CO in cooling flows are conducted. A coupled set of vibrational transition rate equations and quasi-one-dimensional fluid dynamic equations is solved. Multiple quantum level transition rates are computed using SSH theory. The SSH transition rate results are compared with available experimental data and other theoretical models. Vibration-vibration exchange collisions are responsible for some vibrational relaxation acceleration in situations of high vibrational temperature and low translational temperature. The present results support the relaxation mechanisms proposed by Bray and by Treanor Rich and Rehm.
Second-order many-body perturbation expansions of vibrational Dyson self-energies.
Hermes, Matthew R; Hirata, So
2013-07-21
Second-order many-body perturbation theories for anharmonic vibrational frequencies and zero-point energies of molecules are formulated, implemented, and tested. They solve the vibrational Dyson equation self-consistently by taking into account the frequency dependence of the Dyson self-energy in the diagonal approximation, which is expanded in a diagrammatic perturbation series up to second order. Three reference wave functions, all of which are diagrammatically size consistent, are considered: the harmonic approximation and diagrammatic vibrational self-consistent field (XVSCF) methods with and without the first-order Dyson geometry correction, i.e., XVSCF[n] and XVSCF(n), where n refers to the truncation rank of the Taylor-series potential energy surface. The corresponding second-order perturbation theories, XVH2(n), XVMP2[n], and XVMP2(n), are shown to be rigorously diagrammatically size consistent for both total energies and transition frequencies, yield accurate results (typically within a few cm(-1) at n = 4 for water and formaldehyde) for both quantities even in the presence of Fermi resonance, and have access to fundamentals, overtones, and combinations as well as their relative intensities as residues of the vibrational Green's functions. They are implemented into simple algorithms that require only force constants and frequencies of the reference methods (with no basis sets, quadrature, or matrix diagonalization at any stage of the calculation). The rules for enumerating and algebraically interpreting energy and self-energy diagrams are elucidated in detail.
The history of random vibrations through 1958
NASA Astrophysics Data System (ADS)
Paez, Thomas L.
2006-11-01
Interest in the analysis of random vibrations of mechanical systems started to grow about a half century ago in response to the need for a theory that could accurately predict structural response to jet engine noise and missile launch-induced environments. However, the work that enabled development of the theory of random vibrations started about a half century earlier. This paper discusses contributions to the theory of random vibrations from the time of Einstein to the time of an MIT workshop that was organized by Crandall in 1958.
The Shock and Vibration Digest, Volume 16, Number 10
1984-10-01
measurement and analysis; also vibration and include gears , bearing (fluid film and antifriction), shock environmental testing to prove survivability, shafts...vibration analysis of general equipment including the course are fundamental relationships, material bearings and gears using the time and frequency...September 16-20. 1985 Leszno, Poland INTERNATIONAL CONFERENCE ON ROTORDYNAMICS Applied Mechanics Institute, Technical University September 14-17, 1986 of
Accurate Finite Difference Algorithms
NASA Technical Reports Server (NTRS)
Goodrich, John W.
1996-01-01
Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.
Accurate monotone cubic interpolation
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1991-01-01
Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.
Quantum electrodynamics and fundamental constants
NASA Astrophysics Data System (ADS)
Wundt, Benedikt Johannes Wilhelm
The unprecedented precision achieved both in the experimental measurements as well as in the theoretical description of atomic bound states make them an ideal study object for fundamental physics and the determination of fundamental constants. This requires a careful study of the effects from quantum electrodynamics (QED) on the interaction between the electron and the nucleus. The two theoretical approaches for the evaluation of QED corrections are presented and discussed. Due to the presence of two energy scales from the binding potential and the radiation field, an overlapping parameter has to be used in both approaches in order to separate the energy scales. The different choices for the overlapping parameter in the two methods are further illustrated in a model example. With the nonrelativistic theory, relativistic corrections in order ( Zalpha)2 to the two-photon decay rate of ionic states are calculated, as well as the leading radiative corrections of alpha( Zalpha)2ln[(Zalpha)-2 ]. It is shown that the corrections is gauge-invariant under a "hybrid" gauge transformation between Coulomb and Yennie gauge. Furthermore, QED corrections for Rydberg states in one-electron ions are investigated. The smallness of the corrections and the absence of nuclear size corrections enable very accurate theoretical predictions. Measuring transition frequencies and comparing them to the theoretical predictions, QED theory can be tested more precisely. In turn, this could yield a more accurate value for the Rydberg constant. Using a transition in a nucleus with a well determined mass, acting as a reference, a comparison to transition in other nuclei can even allow to determined nuclear masses. Finally, in order to avoid an additional uncertainty in nuclei with non zero nuclear spin, QED self-energy corrections to the hyperfine structure up to order alpha(Zalpha)2Delta EHFS are determined for highly excited Rydberg states.
Arguing against fundamentality
NASA Astrophysics Data System (ADS)
McKenzie, Kerry
This paper aims to open up discussion on the relationship between fundamentality and naturalism, and in particular on the question of whether fundamentality may be denied on naturalistic grounds. A historico-inductive argument for an anti-fundamentalist conclusion, prominent within the contemporary metaphysical literature, is examined; finding it wanting, an alternative 'internal' strategy is proposed. By means of an example from the history of modern physics - namely S-matrix theory - it is demonstrated that (1) this strategy can generate similar (though not identical) anti-fundamentalist conclusions on more defensible naturalistic grounds, and (2) that fundamentality questions can be empirical questions. Some implications and limitations of the proposed approach are discussed.
Brown, F.B.; Sutton, T.M.
1996-02-01
This report is composed of the lecture notes from the first half of a 32-hour graduate-level course on Monte Carlo methods offered at KAPL. These notes, prepared by two of the principle developers of KAPL`s RACER Monte Carlo code, cover the fundamental theory, concepts, and practices for Monte Carlo analysis. In particular, a thorough grounding in the basic fundamentals of Monte Carlo methods is presented, including random number generation, random sampling, the Monte Carlo approach to solving transport problems, computational geometry, collision physics, tallies, and eigenvalue calculations. Furthermore, modern computational algorithms for vector and parallel approaches to Monte Carlo calculations are covered in detail, including fundamental parallel and vector concepts, the event-based algorithm, master/slave schemes, parallel scaling laws, and portability issues.
Noncontact Electromagnetic Vibration Source
NASA Technical Reports Server (NTRS)
Namkung, Min; Fulton, James P.; Wincheski, Buzz A.
1994-01-01
Metal aircraft skins scanned rapidly in vibration tests. Relatively simple combination of permanent magnets and electromagnet serves as noncontact vibration source for nondestructive testing of metal aircraft skins. In test, source excites vibrations, and vibration waveforms measured, then analyzed for changes in resonances signifying cracks and other flaws.
NASA Technical Reports Server (NTRS)
Zuk, J.
1976-01-01
The fundamentals of fluid sealing, including seal operating regimes, are discussed and the general fluid-flow equations for fluid sealing are developed. Seal performance parameters such as leakage and power loss are presented. Included in the discussion are the effects of geometry, surface deformations, rotation, and both laminar and turbulent flows. The concept of pressure balancing is presented, as are differences between liquid and gas sealing. Mechanisms of seal surface separation, fundamental friction and wear concepts applicable to seals, seal materials, and pressure-velocity (PV) criteria are discussed.
Fundamentals of fluid lubrication
NASA Technical Reports Server (NTRS)
Hamrock, Bernard J.
1991-01-01
The aim is to coordinate the topics of design, engineering dynamics, and fluid dynamics in order to aid researchers in the area of fluid film lubrication. The lubrication principles that are covered can serve as a basis for the engineering design of machine elements. The fundamentals of fluid film lubrication are presented clearly so that students that use the book will have confidence in their ability to apply these principles to a wide range of lubrication situations. Some guidance on applying these fundamentals to the solution of engineering problems is also provided.
Magnetically levitated autoparametric broadband vibration energy harvesting
NASA Astrophysics Data System (ADS)
Kurmann, L.; Jia, Y.; Manoli, Y.; Woias, P.
2016-11-01
Some of the lingering challenges within the current paradigm of vibration energy harvesting (VEH) involve narrow operational frequency range and the inevitable non-resonant response from broadband noise excitations. Such VEHs are only suitable for limited applications with fixed sinusoidal vibration, and fail to capture a large spectrum of the real world vibration. Various arraying designs, frequency tuning schemes and nonlinear vibratory approaches have only yielded modest enhancements. To fundamentally address this, the paper proposes and explores the potentials in using highly nonlinear magnetic spring force to activate an autoparametric oscillator, in order to realize an inherently broadband resonant system. Analytical and numerical modelling illustrate that high spring nonlinearity derived from magnetic levitation helps to promote the 2:1 internal frequency matching required to activate parametric resonance. At the right internal parameters, the resulting system can intrinsically exhibit semi-resonant response regardless of the bandwidth of the input vibration, including broadband white noise excitation.
Passive Vibration Reduction with Silicone Springs and Dynamic Absorber
NASA Astrophysics Data System (ADS)
Lee, Ji-hoon; Dong, Yanlu; Lee, Moon G.
In the precision manufacturing field, the major structural components are often made of rigid and massive elements. Those mechanisms are so fluctuated by swaying of building and resonating of ground floor that the precision gets lower. As a result, quality of products is declined. So far, to minimize the influences of result from external irregular vibration, various technical methods of the absorbing vibration are used. For example, vibration isolation table which use air damper and heavy granite surface plate are used. But, these devices need high cost and low mobility. In this paper, our target is to analyze the external vibration and then to develop a mechanism which is able to reduce the effect. It is also able to be produced at a lower cost. Firstly, a silicone support is proposed as a simple vibration isolating mechanism. Swaying and resonating of a building have 2∼4 Hz vibrating frequency when a person is running on a treadmill, similar phenomena happen. Therefore, the supports are mounted under the running pad of a treadmill. This is a passive vibration isolator. The support is designed to have low stiffness and high deformation to isolate and absorb the vibration. As a result, it reduces the peak amplitude of vibration by about 80%. Secondly, a dynamic vibration absorber is developed to minimize the repetitive vibration. The absorber has a fundamental resonating frequency by its spring and mass. The resonating frequency is designed to have close value to the vibrating frequency of the treadmill. The length of beam can be adjusted to have variable resonance according to the external vibration. This absorber also reduces vibration by 84%. The passive vibration isolator and dynamic vibration absorber can be applied to precision equipments with repetitive motion or with disturbance of swaying of building.
ERIC Educational Resources Information Center
Marine Corps Inst., Washington, DC.
Developed as part of the Marine Corps Institute (MCI) correspondence training program, this course on food service fundamentals is designed to provide a general background in the basic aspects of the food service program in the Marine Corps; it is adaptable for nonmilitary instruction. Introductory materials include specific information for MCI…
Unification of Fundamental Forces
NASA Astrophysics Data System (ADS)
Salam, Abdus; Taylor, Foreword by John C.
2005-10-01
Foreword John C. Taylor; 1. Unification of fundamental forces Abdus Salam; 2. History unfolding: an introduction to the two 1968 lectures by W. Heisenberg and P. A. M. Dirac Abdus Salam; 3. Theory, criticism, and a philosophy Werner Heisenberg; 4. Methods in theoretical physics Paul Adrian Maurice Dirac.
Basic Publication Fundamentals.
ERIC Educational Resources Information Center
Savedge, Charles E., Ed.
Designed for students who produce newspapers and newsmagazines in junior high, middle, and elementary schools, this booklet is both a scorebook and a fundamentals text. The scorebook provides realistic criteria for judging publication excellence at these educational levels. All the basics for good publications are included in the text of the…
ERIC Educational Resources Information Center
Smithsonian Institution, Washington, DC. National Reading is Fun-damental Program.
Reading Is Fundamental (RIF) is a national, nonprofit organization designed to motivate children to read by making a wide variety of inexpensive books available to them and allowing the children to choose and keep books that interest them. This annual report for 1977 contains the following information on the RIF project: an account of the…
Laser Fundamentals and Experiments.
ERIC Educational Resources Information Center
Van Pelt, W. F.; And Others
As a result of work performed at the Southwestern Radiological Health Laboratory with respect to lasers, this manual was prepared in response to the increasing use of lasers in high schools and colleges. It is directed primarily toward the high school instructor who may use the text for a short course in laser fundamentals. The definition of the…
Homeschooling and Religious Fundamentalism
ERIC Educational Resources Information Center
Kunzman, Robert
2010-01-01
This article considers the relationship between homeschooling and religious fundamentalism by focusing on their intersection in the philosophies and practices of conservative Christian homeschoolers in the United States. Homeschooling provides an ideal educational setting to support several core fundamentalist principles: resistance to…
The Fundamental Property Relation.
ERIC Educational Resources Information Center
Martin, Joseph J.
1983-01-01
Discusses a basic equation in thermodynamics (the fundamental property relation), focusing on a logical approach to the development of the relation where effects other than thermal, compression, and exchange of matter with the surroundings are considered. Also demonstrates erroneous treatments of the relation in three well-known textbooks. (JN)
Fundamentals of Library Instruction
ERIC Educational Resources Information Center
McAdoo, Monty L.
2012-01-01
Being a great teacher is part and parcel of being a great librarian. In this book, veteran instruction services librarian McAdoo lays out the fundamentals of the discipline in easily accessible language. Succinctly covering the topic from top to bottom, he: (1) Offers an overview of the historical context of library instruction, drawing on recent…
Technology Transfer Automated Retrieval System (TEKTRAN)
This study guide provides comments and references for professional soil scientists who are studying for the soil science fundamentals exam needed as the first step for certification. The performance objectives were determined by the Soil Science Society of America's Council of Soil Science Examiners...
Fundamentals of Electromagnetic Phenomena
NASA Astrophysics Data System (ADS)
Lorrain, Paul; Corson, Dale R.; Lorrain, Francois
Based on the classic Electromagnetic Fields and Waves by the same authors, Fundamentals of Electromagnetic Phenomena capitalizes on the older text's traditional strengths--solid physics, inventive problems, and an experimental approach--while offering a briefer, more accessible introduction to the basic principles of electromagnetism.
Fundamentals of Solid Lubrication
2012-03-01
NOTES 14. ABSTRACT During this program, we have worked to develop a fundamental understanding of the chemical and tribological issues related to...approach, tribological measurements performed over a range of length scales, and the correlation of the two classes of information. Research activities...correlated measurements of surface composition and environmentally specific tribological performance of thin film solid lubricants. • Correlate shear
Fundamentals of Diesel Engines.
ERIC Educational Resources Information Center
Marine Corps Inst., Washington, DC.
This student guide, one of a series of correspondence training courses designed to improve the job performance of members of the Marine Corps, deals with the fundamentals of diesel engine mechanics. Addressed in the three individual units of the course are the following topics: basic principles of diesel mechanics; principles, mechanics, and…
Accurate quantum chemical calculations
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.
Fortenberry, Ryan C.; Lee, Timothy J.; Crawford, T. Daniel E-mail: Timothy.J.Lee@nasa.gov
2013-01-10
The A {sup 1}B{sub 1} Leftwards-Open-Headed-Arrow X-tilde{sup 1}A' excitation into the dipole-bound state of the cyanomethyl anion (CH{sub 2}CN{sup -}) has been hypothesized as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study, we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for X-tilde{sup 1} A' CH{sub 2}CN{sup -} in order to assist in laboratory studies and astronomical observations.
Vibration absorbers for chatter suppression: A new analytical tuning methodology
NASA Astrophysics Data System (ADS)
Sims, Neil D.
2007-04-01
Vibration absorbers have been widely used to suppress undesirable vibrations in machining operations, with a particular emphasis on avoiding chatter. However, it is well known that for vibration absorbers to function effectively their stiffness and damping must be accurately tuned based upon the natural frequency of the vibrating structure. For general vibration problems, suitable tuning strategies were developed by Den Hartog and Brock over 50 years ago. However, the special nature of the chatter stability problem means that this classical tuning methodology is no longer optimal. Consequently, vibration absorbers for chatter mitigation have generally been tuned using ad hoc methods, or numerical or graphical approaches. The present article introduces a new analytical solution to this problem, and demonstrates its performance using time domain milling simulations. A 40-50% improvement in the critical limiting depth of cut is observed, compared to the classically tuned vibration absorber.
Vibrational predissociation spectroscopy of Ar-tagged, trisubstituted silyl cations
NASA Astrophysics Data System (ADS)
DeBlase, Andrew F.; Scerba, Michael T.; Lectka, Thomas; Johnson, Mark A.
2013-05-01
Vibrational predissociation spectra of the (CH3)2RSi+·Arn, (R = H and CH3, n = 1 and 2) ions are compared with harmonic calculations to structurally characterize these putative reactive intermediates. Although the vibrational photofragmentation behavior indicates that the Ar-Si bond is quite strong relative to that found in closed shell ions, formation of the Ar adducts is calculated to cause only minor perturbations to the intrinsic vibrational band patterns of the isolated ions. In both (R = H and CH3) cases, the vibrational spectra are very simple, consisting entirely of sharp features readily assigned to fundamentals anticipated by their harmonic spectra.
Astronomers Gain Clues About Fundamental Physics
NASA Astrophysics Data System (ADS)
2005-12-01
An international team of astronomers has looked at something very big -- a distant galaxy -- to study the behavior of things very small -- atoms and molecules -- to gain vital clues about the fundamental nature of our entire Universe. The team used the National Science Foundation's Robert C. Byrd Green Bank Telescope (GBT) to test whether the laws of nature have changed over vast spans of cosmic time. The Green Bank Telescope The Robert C. Byrd Green Bank Telescope CREDIT: NRAO/AUI/NSF (Click on image for GBT gallery) "The fundamental constants of physics are expected to remain fixed across space and time; that's why they're called constants! Now, however, new theoretical models for the basic structure of matter indicate that they may change. We're testing these predictions." said Nissim Kanekar, an astronomer at the National Radio Astronomy Observatory (NRAO), in Socorro, New Mexico. So far, the scientists' measurements show no change in the constants. "We've put the most stringent limits yet on some changes in these constants, but that's not the end of the story," said Christopher Carilli, another NRAO astronomer. "This is the exciting frontier where astronomy meets particle physics," Carilli explained. The research can help answer fundamental questions about whether the basic components of matter are tiny particles or tiny vibrating strings, how many dimensions the Universe has, and the nature of "dark energy." The astronomers were looking for changes in two quantities: the ratio of the masses of the electron and the proton, and a number physicists call the fine structure constant, a combination of the electron charge, the speed of light and the Planck constant. These values, considered fundamental physical constants, once were "taken as time independent, with values given once and forever" said German particle physicist Christof Wetterich. However, Wetterich explained, "the viewpoint of modern particle theory has changed in recent years," with ideas such as
NASA Astrophysics Data System (ADS)
Zhao, Dongfeng; Doney, Kirstin D.; Linnartz, Harold
2014-06-01
In the past few decades, many high-resolution spectroscopic studies have been dedicated to the C-H stretch vibrations in propyne (CH_3-C≡CH), aiming to understand the intramolecular vibrational redistribution in isolated small hydrocarbons. In this talk, we present the sensitive detection of the ν_1 (acetylenic C-H stretch) fundamental bands of the three 13C mono-substituted isotopologues of propyne. The infrared absorption spectra are recorded using continuous-wave cavity ring-down spectroscopy (CRDS) in combination with a supersonic jet expansion of propyne/argon gas mixtures. A 0.05x30 mm slit nozzle is used in the present experiment to realize an effective rotational cooling to ≈14 K and a reduced Doppler width of ≈90 MHz. The high sensitivity of CRDS allows us to detect the three 13C isotopologues in their 1.1% natural abundance. Different infrared band intensities of ν_1 are found for the three isotopologues. Detailed rotational analyses of the experimental spectra are performed to derive effective spectroscopic constants for the upper ν_1 vibrational state. The 13C-substitution effect of the near/non-resonant perturbations to ν_1 of propyne is discussed. In addition, more accurate infrared data of 12C-propyne, including the ν_1 fundamental band, are also obtained from our experimental spectra.
Alecu, I M; Zheng, Jingjing; Zhao, Yan; Truhlar, Donald G
2010-09-14
Optimized scale factors for calculating vibrational harmonic and fundamental frequencies and zero-point energies have been determined for 145 electronic model chemistries, including 119 based on approximate functionals depending on occupied orbitals, 19 based on single-level wave function theory, three based on the neglect-of-diatomic-differential-overlap, two based on doubly hybrid density functional theory, and two based on multicoefficient correlation methods. Forty of the scale factors are obtained from large databases, which are also used to derive two universal scale factor ratios that can be used to interconvert between scale factors optimized for various properties, enabling the derivation of three key scale factors at the effort of optimizing only one of them. A reduced scale factor optimization model is formulated in order to further reduce the cost of optimizing scale factors, and the reduced model is illustrated by using it to obtain 105 additional scale factors. Using root-mean-square errors from the values in the large databases, we find that scaling reduces errors in zero-point energies by a factor of 2.3 and errors in fundamental vibrational frequencies by a factor of 3.0, but it reduces errors in harmonic vibrational frequencies by only a factor of 1.3. It is shown that, upon scaling, the balanced multicoefficient correlation method based on coupled cluster theory with single and double excitations (BMC-CCSD) can lead to very accurate predictions of vibrational frequencies. With a polarized, minimally augmented basis set, the density functionals with zero-point energy scale factors closest to unity are MPWLYP1M (1.009), τHCTHhyb (0.989), BB95 (1.012), BLYP (1.013), BP86 (1.014), B3LYP (0.986), MPW3LYP (0.986), and VSXC (0.986).
Vibrational Energy Transfer of Diatomic Gases in Hypersonic Expanding Flows.
NASA Astrophysics Data System (ADS)
Ruffin, Stephen Merrick
In high temperature flows related to vehicles at hypersonic speeds significant excitation of the vibrational energy modes of the gas can occur. Accurate predictions of the vibrational state of the gas and the rates of vibrational energy transfer are essential to achieve optimum engine performance, for design of heat shields, and for studies of ground based hypersonic test facilities. The Landau -Teller relaxation model is widely used because it has been shown to give accurate predictions in vibrationally heating flows such as behind forebody shocks. However, a number of experiments in nozzles have indicated that it fails to accurately predict the rate of energy transfer in expanding, or cooling, flow regions and fails to predict the distribution of energy in the vibrational quantum levels. The present study examines the range of applicability of the Landau -Teller model in expanding flows and develops techniques which provide accurate predictions in expanding flows. In the present study, detailed calculations of the vibrational relaxation process of N_2 and CO in cooling flows are conducted. A coupled set of vibrational transition rate equations and quasi one-dimensional fluid dynamic equations is solved. Rapid anharmonic Vibration-Translation transition rates and Vibration -Vibration exchange collisions are found to be responsible for vibrational relaxation acceleration in situations of high vibrational temperature and low translational temperature. The predictions of the detailed master equation solver are in excellent agreement with experimental results. The exact degree of acceleration is cataloged in this study for N_2 and is found to be a function of both the translational temperature (T) and the ratio of vibrational to translational temperatures (T_{vib}/T). Non-Boltzmann population distributions are observed for values of T _{vib}/T as low as 2.0. The local energy transfer rate is shown to be an order of magnitude or more faster than the Landau-Teller model
Fundamental properties of resonances.
Ceci, S; Hadžimehmedović, M; Osmanović, H; Percan, A; Zauner, B
2017-03-27
All resonances, from hydrogen nuclei excited by the high-energy gamma rays in deep space to newly discovered particles produced in Large Hadron Collider, should be described by the same fundamental physical quantities. However, two distinct sets of properties are used to describe resonances: the pole parameters (complex pole position and residue) and the Breit-Wigner parameters (mass, width, and branching fractions). There is an ongoing decades-old debate on which one of them should be abandoned. In this study of nucleon resonances appearing in the elastic pion-nucleon scattering we discover an intricate interplay of the parameters from both sets, and realize that neither set is completely independent or fundamental on its own.
Fundamental properties of resonances
Ceci, S.; Hadžimehmedović, M.; Osmanović, H.; Percan, A.; Zauner, B.
2017-01-01
All resonances, from hydrogen nuclei excited by the high-energy gamma rays in deep space to newly discovered particles produced in Large Hadron Collider, should be described by the same fundamental physical quantities. However, two distinct sets of properties are used to describe resonances: the pole parameters (complex pole position and residue) and the Breit-Wigner parameters (mass, width, and branching fractions). There is an ongoing decades-old debate on which one of them should be abandoned. In this study of nucleon resonances appearing in the elastic pion-nucleon scattering we discover an intricate interplay of the parameters from both sets, and realize that neither set is completely independent or fundamental on its own. PMID:28345595
Fundamentals of Polarized Light
NASA Technical Reports Server (NTRS)
Mishchenko, Michael
2003-01-01
The analytical and numerical basis for describing scattering properties of media composed of small discrete particles is formed by the classical electromagnetic theory. Although there are several excellent textbooks outlining the fundamentals of this theory, it is convenient for our purposes to begin with a summary of those concepts and equations that are central to the subject of this book and will be used extensively in the following chapters. We start by formulating Maxwell's equations and constitutive relations for time- harmonic macroscopic electromagnetic fields and derive the simplest plane-wave solution that underlies the basic optical idea of a monochromatic parallel beam of light. This solution naturally leads to the introduction of such fundamental quantities as the refractive index and the Stokes parameters. Finally, we define the concept of a quasi-monochromatic beam of light and discuss its implications.
Puzzarini, Cristina; Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo
2015-01-01
In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm−1 for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%–3%, and 3%–4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxirane in Titan’s atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz). PMID:26543240
Vibrational Spectroscopy of Chromatographic Interfaces
Jeanne E. Pemberton
2011-03-10
Chromatographic separations play a central role in DOE-supported fundamental research related to energy, biological systems, the environment, and nuclear science. The overall portfolio of research activities in the Separations and Analysis Program within the DOE Office of Basic Energy Sciences includes support for activities designed to develop a molecular-level understanding of the chemical processes that underlie separations for both large-scale and analytical-scale purposes. The research effort funded by this grant award was a continuation of DOE-supported research to develop vibrational spectroscopic methods to characterize the interfacial details of separations processes at a molecular level.
Greg Hall, D
2011-01-01
Session 1 of the 2010 STP/IFSTP Joint Symposium on Toxicologic Neuropathology, titled "Fundamentals of Neurobiology," was organized to provide a foundation for subsequent sessions by presenting essential elements of neuroanatomy and nervous system function. A brief introduction to the session titled "Introduction to Correlative Neurobiology" was provided by Dr. Greg Hall (Eli Lilly and Company, Indianapolis, IN). Correlative neurobiology refers to considerations of the relationships between the highly organized and compartmentalized structure of nervous tissues and the functioning within this system.
Fundamental studies in geodynamics
NASA Technical Reports Server (NTRS)
Anderson, D. L.; Hager, B. H.; Kanamori, H.
1981-01-01
Research in fundamental studies in geodynamics continued in a number of fields including seismic observations and analysis, synthesis of geochemical data, theoretical investigation of geoid anomalies, extensive numerical experiments in a number of geodynamical contexts, and a new field seismic volcanology. Summaries of work in progress or completed during this report period are given. Abstracts of publications submitted from work in progress during this report period are attached as an appendix.
Fundamentals of petroleum maps
Mc Elroy, D.P.
1986-01-01
It's a complete guide to the fundamentals of reading, using, and making petroleum maps. The topics covered are well spotting, lease posting, contouring, hanging cross sections, and ink drafting. This book not only tells the how of petroleum mapping, but it also tells the why to better understand the principles and techniques. The books does not teach ''drafting,'' but does describe the proper care and use of drafting equipment for those who are totally new to the task.
Wollaber, Allan Benton
2016-06-16
This is a powerpoint presentation which serves as lecture material for the Parallel Computing summer school. It goes over the fundamentals of the Monte Carlo calculation method. The material is presented according to the following outline: Introduction (background, a simple example: estimating π), Why does this even work? (The Law of Large Numbers, The Central Limit Theorem), How to sample (inverse transform sampling, rejection), and An example from particle transport.
Combustion Fundamentals Research
NASA Technical Reports Server (NTRS)
1984-01-01
The various physical processes that occur in the gas turbine combustor and the development of analytical models that accurately describe these processes are discussed. Aspects covered include fuel sprays; fluid mixing; combustion dynamics; radiation and chemistry and numeric techniques which can be applied to highly turbulent, recirculating, reacting flow fields.
Neutrons and Fundamental Symmetries
Plaster, Bradley
2016-01-11
The research supported by this project addressed fundamental open physics questions via experiments with subatomic particles. In particular, neutrons constitute an especially ideal “laboratory” for fundamental physics tests, as their sensitivities to the four known forces of nature permit a broad range of tests of the so-called “Standard Model”, our current best physics model for the interactions of subatomic particles. Although the Standard Model has been a triumphant success for physics, it does not provide satisfactory answers to some of the most fundamental open questions in physics, such as: are there additional forces of nature beyond the gravitational, electromagnetic, weak nuclear, and strong nuclear forces?, or why does our universe consist of more matter than anti-matter? This project also contributed significantly to the training of the next generation of scientists, of considerable value to the public. Young scientists, ranging from undergraduate students to graduate students to post-doctoral researchers, made significant contributions to the work carried out under this project.
NASA Astrophysics Data System (ADS)
Burov, Alexey
Fundamental science is a hard, long-term human adventure that has required high devotion and social support, especially significant in our epoch of Mega-science. The measure of this devotion and this support expresses the real value of the fundamental science in public opinion. Why does fundamental science have value? What determines its strength and what endangers it? The dominant answer is that the value of science arises out of curiosity and is supported by the technological progress. Is this really a good, astute answer? When trying to attract public support, we talk about the ``mystery of the universe''. Why do these words sound so attractive? What is implied by and what is incompatible with them? More than two centuries ago, Immanuel Kant asserted an inseparable entanglement between ethics and metaphysics. Thus, we may ask: which metaphysics supports the value of scientific cognition, and which does not? Should we continue to neglect the dependence of value of pure science on metaphysics? If not, how can this issue be addressed in the public outreach? Is the public alienated by one or another message coming from the face of science? What does it mean to be politically correct in this sort of discussion?
BIOACCESSIBILITY TESTS ACCURATELY ESTIMATE ...
Hazards of soil-borne Pb to wild birds may be more accurately quantified if the bioavailability of that Pb is known. To better understand the bioavailability of Pb to birds, we measured blood Pb concentrations in Japanese quail (Coturnix japonica) fed diets containing Pb-contaminated soils. Relative bioavailabilities were expressed by comparison with blood Pb concentrations in quail fed a Pb acetate reference diet. Diets containing soil from five Pb-contaminated Superfund sites had relative bioavailabilities from 33%-63%, with a mean of about 50%. Treatment of two of the soils with P significantly reduced the bioavailability of Pb. The bioaccessibility of the Pb in the test soils was then measured in six in vitro tests and regressed on bioavailability. They were: the “Relative Bioavailability Leaching Procedure” (RBALP) at pH 1.5, the same test conducted at pH 2.5, the “Ohio State University In vitro Gastrointestinal” method (OSU IVG), the “Urban Soil Bioaccessible Lead Test”, the modified “Physiologically Based Extraction Test” and the “Waterfowl Physiologically Based Extraction Test.” All regressions had positive slopes. Based on criteria of slope and coefficient of determination, the RBALP pH 2.5 and OSU IVG tests performed very well. Speciation by X-ray absorption spectroscopy demonstrated that, on average, most of the Pb in the sampled soils was sorbed to minerals (30%), bound to organic matter 24%, or present as Pb sulfate 18%. Ad
Fundamental spectroscopic studies of carbenes and hydrocarbon radicals
Gottlieb, C.A.; Thaddeus, P.
1993-12-01
Highly reactive carbenes and carbon-chain radicals are studied at millimeter wavelengths by observing their rotational spectra. The purpose is to provide definitive spectroscopic identification, accurate spectroscopic constants in the lowest vibrational states, and reliable structures of the key intermediates in reactions leading to aromatic hydrocarbons and soot particles in combustion.
Multi-reference vibration correlation methods
Pfeiffer, Florian; Rauhut, Guntram
2014-02-14
State-specific vibration correlation methods beyond the vibrational multi-configuration self-consistent field (VMCSCF) approximation have been developed, which allow for the accurate calculation of state energies for systems suffering from strong anharmonic resonances. Both variational multi-reference configuration interaction approaches and an implementation of approximate 2nd order vibrational multi-reference perturbation theory are presented. The variational approach can be significantly accelerated by a configuration selection scheme, which leads to negligible deviations in the final results. Relaxation effects due to the partitioning of the correlation space and the performance of a VMCSCF modal basis in contrast to a standard modal basis obtained from vibrational self-consistent field theory have been investigated in detail. Benchmark calculations based on high-level potentials are provided for the propargyl cation and cis-diazene.
NASA Astrophysics Data System (ADS)
Burton, P. G.; von Nagy-Felsobuki, E.; Doherty, G.; Hamilton, M.
The H3+ab initio potential energy surface and its analytical representation has been re-examined to promote more accurate vibration-rotation calculations. We present here a new and accurate 78 point PNO-CI grid which predicts the minimum energy geometry to be an equilateral triangle of side, r(H-H) = 1·6525 a0. and energy of -1·34188 Eh. Of the analytical representations only the sixth order Simons-Parr-Finlan (SPF) and Ogilvie force fields were found to satisfy our fitting criteria, resulting in associated errors of less than 11·1 kJ mol-1. Our calculated vibrational band origins are in good agreement with those of Carney and Porter, with the differences of the lowest-lying vibration states essentially reflecting the analytical characteristics of the potential energy surfaces used.
Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.; ...
2016-04-14
Here, the C 1B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X~ state are vibronically forbidden. We use IR-UV double resonance to observe the b2 vibrational levels of the C state below 1600 cm–1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results from the double-minimum potential. In addition, itmore » allows us to deperturb the strong c-axis Coriolis interactions between levels of a1 and b2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less
Park, G Barratt; Jiang, Jun; Saladrigas, Catherine A; Field, Robert W
2016-04-14
The C̃ (1)B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X̃ state are vibronically forbidden. We use IR-UV double resonance to observe the b2 vibrational levels of the C̃ state below 1600 cm(-1) of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results from the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a1 and b2 vibrational symmetry and to determine accurately the vibrational dependence of the rotational constants in the distorted C̃ electronic state.
Accurate spectral color measurements
NASA Astrophysics Data System (ADS)
Hiltunen, Jouni; Jaeaeskelaeinen, Timo; Parkkinen, Jussi P. S.
1999-08-01
Surface color measurement is of importance in a very wide range of industrial applications including paint, paper, printing, photography, textiles, plastics and so on. For a demanding color measurements spectral approach is often needed. One can measure a color spectrum with a spectrophotometer using calibrated standard samples as a reference. Because it is impossible to define absolute color values of a sample, we always work with approximations. The human eye can perceive color difference as small as 0.5 CIELAB units and thus distinguish millions of colors. This 0.5 unit difference should be a goal for the precise color measurements. This limit is not a problem if we only want to measure the color difference of two samples, but if we want to know in a same time exact color coordinate values accuracy problems arise. The values of two instruments can be astonishingly different. The accuracy of the instrument used in color measurement may depend on various errors such as photometric non-linearity, wavelength error, integrating sphere dark level error, integrating sphere error in both specular included and specular excluded modes. Thus the correction formulas should be used to get more accurate results. Another question is how many channels i.e. wavelengths we are using to measure a spectrum. It is obvious that the sampling interval should be short to get more precise results. Furthermore, the result we get is always compromise of measuring time, conditions and cost. Sometimes we have to use portable syste or the shape and the size of samples makes it impossible to use sensitive equipment. In this study a small set of calibrated color tiles measured with the Perkin Elmer Lamda 18 and the Minolta CM-2002 spectrophotometers are compared. In the paper we explain the typical error sources of spectral color measurements, and show which are the accuracy demands a good colorimeter should have.
Precision Spectroscopy on Highly-Excited Vibrational Levels of H_2
NASA Astrophysics Data System (ADS)
Niu, Ming Li; Salumbides, Edcel John; Ubachs, Wim
2015-06-01
The ground electronic energy levels of H_2 have been used as a benchmark system for the most precise comparisons between ab initio calculations and experimental investigations. Recent examples include the determinations of the ionization energy [1], fundamental vibrational energy splitting [2], and rotational energy progression extending to J=16 [3]. In general, the experimental and theoretical values are in excellent agreement with each other. The energy calculations, however, reduce in accuracy with the increase in rotational and vibrational excitation, limited by the accuracy of non-Born Oppenheimer corrections, as well as the higher-order QED effects. While on the experimental side, it remains difficult to sufficiently populate these excited levels in the ground electronic state. We present here our high-resolution spectroscopic study on the X ^1σ^+_g electronic ground state levels with very high vibrational quanta (ν=10,11,12). Vibrationally-excited H_2 are produced from the photodissociation of H_2S [4], and subsequently probed by a narrowband pulsed dye laser system. The experimental results are consistent with and more accurate than the best theoretical values [5]. These vibrationally-excited level energies are also of interest to studies that extract constraints on the possible new interactions that extend beyond the Standard Model [6]. [1] J. Liu et al., J. Chem. Phys. 130, 174306 (2009). [2] G. Dickenson et al., Phys. Rev. Lett. 110, 193601 (2013). [3] E.J. Salumbides et al., Phys. Rev. Lett. 107, 143005 (2011). [4] J. Steadman and T. Baer, J. Chem. Phys. 91, 6113 (1989). [5] J. Komasa et al., J. Chem. Theory Comp. 7, 3105 (2011). [6] E.J. Salumbides et al., Phys. Rev. D 87, 112008 (2013).
Quantum Monte Carlo for vibrating molecules
Brown, W.R. |
1996-08-01
Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molecules. The main goal of this work is to use correlation function quantum Monte Carlo (CFQMC) to compute the vibrational state energies of molecules given a potential energy surface (PES). In CFQMC, an ensemble of random walkers simulate the diffusion and branching processes of the imaginary-time time dependent Schroedinger equation in order to evaluate the matrix elements. The program QMCVIB was written to perform multi-state VMC and CFQMC calculations and employed for several calculations of the H{sub 2}O and C{sub 3} vibrational states, using 7 PES`s, 3 trial wavefunction forms, two methods of non-linear basis function parameter optimization, and on both serial and parallel computers. In order to construct accurate trial wavefunctions different wavefunctions forms were required for H{sub 2}O and C{sub 3}. In order to construct accurate trial wavefunctions for C{sub 3}, the non-linear parameters were optimized with respect to the sum of the energies of several low-lying vibrational states. In order to stabilize the statistical error estimates for C{sub 3} the Monte Carlo data was collected into blocks. Accurate vibrational state energies were computed using both serial and parallel QMCVIB programs. Comparison of vibrational state energies computed from the three C{sub 3} PES`s suggested that a non-linear equilibrium geometry PES is the most accurate and that discrete potential representations may be used to conveniently determine vibrational state energies.
NASA Technical Reports Server (NTRS)
Beecher, L. C.; Williams, F. T.
1970-01-01
Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.
Fundamental experiments in velocimetry
Briggs, Matthew Ellsworth; Hull, Larry; Shinas, Michael
2009-01-01
One can understand what velocimetry does and does not measure by understanding a few fundamental experiments. Photon Doppler Velocimetry (PDV) is an interferometer that will produce fringe shifts when the length of one of the legs changes, so we might expect the fringes to change whenever the distance from the probe to the target changes. However, by making PDV measurements of tilted moving surfaces, we have shown that fringe shifts from diffuse surfaces are actually measured only from the changes caused by the component of velocity along the beam. This is an important simplification in the interpretation of PDV results, arising because surface roughness randomizes the scattered phases.
Predicting Achievable Fundamental Frequency Ranges in Vocalization Across Species.
Titze, Ingo; Riede, Tobias; Mau, Ted
2016-06-01
Vocal folds are used as sound sources in various species, but it is unknown how vocal fold morphologies are optimized for different acoustic objectives. Here we identify two main variables affecting range of vocal fold vibration frequency, namely vocal fold elongation and tissue fiber stress. A simple vibrating string model is used to predict fundamental frequency ranges across species of different vocal fold sizes. While average fundamental frequency is predominantly determined by vocal fold length (larynx size), range of fundamental frequency is facilitated by (1) laryngeal muscles that control elongation and by (2) nonlinearity in tissue fiber tension. One adaptation that would increase fundamental frequency range is greater freedom in joint rotation or gliding of two cartilages (thyroid and cricoid), so that vocal fold length change is maximized. Alternatively, tissue layers can develop to bear a disproportionate fiber tension (i.e., a ligament with high density collagen fibers), increasing the fundamental frequency range and thereby vocal versatility. The range of fundamental frequency across species is thus not simply one-dimensional, but can be conceptualized as the dependent variable in a multi-dimensional morphospace. In humans, this could allow for variations that could be clinically important for voice therapy and vocal fold repair. Alternative solutions could also have importance in vocal training for singing and other highly-skilled vocalizations.
Predicting Achievable Fundamental Frequency Ranges in Vocalization Across Species
Titze, Ingo; Riede, Tobias; Mau, Ted
2016-01-01
Vocal folds are used as sound sources in various species, but it is unknown how vocal fold morphologies are optimized for different acoustic objectives. Here we identify two main variables affecting range of vocal fold vibration frequency, namely vocal fold elongation and tissue fiber stress. A simple vibrating string model is used to predict fundamental frequency ranges across species of different vocal fold sizes. While average fundamental frequency is predominantly determined by vocal fold length (larynx size), range of fundamental frequency is facilitated by (1) laryngeal muscles that control elongation and by (2) nonlinearity in tissue fiber tension. One adaptation that would increase fundamental frequency range is greater freedom in joint rotation or gliding of two cartilages (thyroid and cricoid), so that vocal fold length change is maximized. Alternatively, tissue layers can develop to bear a disproportionate fiber tension (i.e., a ligament with high density collagen fibers), increasing the fundamental frequency range and thereby vocal versatility. The range of fundamental frequency across species is thus not simply one-dimensional, but can be conceptualized as the dependent variable in a multi-dimensional morphospace. In humans, this could allow for variations that could be clinically important for voice therapy and vocal fold repair. Alternative solutions could also have importance in vocal training for singing and other highly-skilled vocalizations. PMID:27309543
Vibrations of acrylonitrile in N 1s excited states
NASA Astrophysics Data System (ADS)
Ilakovac, V.; Carniato, S.; Gallet, J.-J.; Kukk, E.; Horvatić, D.; Ilakovac, A.
2008-01-01
The N 1s near edge x-ray absorption fine structure spectra of acrylonitrile gas are accurately reproduced by a complete ab initio multidimensional vibrational analysis. The role of π∗ -orbital localization and hybridization on vibrations accompanying core excitation is discussed. Transition to the π⊥∗(C=C-C≡N) delocalized orbital excites mostly stretching vibrations of the whole spinal column of the molecule. Promoting a core electron to the localized π∥∗(C≡N) produces C≡N stretching vibration combined with two strong bending modes of the C-C≡N end of the molecule, related to the change of carbon hybridization.
Zizys, Darius; Gaidys, Rimvydas; Dauksevicius, Rolanas; Ostasevicius, Vytautas; Daniulaitis, Vytautas
2015-12-23
The piezoelectric transduction mechanism is a common vibration-to-electric energy harvesting approach. Piezoelectric energy harvesters are typically mounted on a vibrating host structure, whereby alternating voltage output is generated by a dynamic strain field. A design target in this case is to match the natural frequency of the harvester to the ambient excitation frequency for the device to operate in resonance mode, thus significantly increasing vibration amplitudes and, as a result, energy output. Other fundamental vibration modes have strain nodes, where the dynamic strain field changes sign in the direction of the cantilever length. The paper reports on a dimensionless numerical transient analysis of a cantilever of a constant cross-section and an optimally-shaped cantilever with the objective to accurately predict the position of a strain node. Total effective strain produced by both cantilevers segmented at the strain node is calculated via transient analysis and compared to the strain output produced by the cantilevers segmented at strain nodes obtained from modal analysis, demonstrating a 7% increase in energy output. Theoretical results were experimentally verified by using open-circuit voltage values measured for the cantilevers segmented at optimal and suboptimal segmentation lines.
Anharmonic Vibrational Dynamics of DNA Oligomers
NASA Astrophysics Data System (ADS)
Kühn, O.; Došlić, N.; Krishnan, G. M.; Fidder, H.; Heyne, K.
Combining two-color infared pump-probe spectroscopy and anharmonic force field calculations we characterize the anharmonic coupling patterns between fingerprint modes and the hydrogen-bonded symmetric vNH2 stretching vibration in adenine-thymine dA20-dT20 DNA oligomers. Specifically, it is shown that the anharmonic coupling between the δNH2 bending and the vC4=O4 stretching vibration, both absorbing around 1665 cm-1, can be used to assign the vNH2 fundamental transition at 3215 cm-1 despite the broad background absorption of water.
Conformational and Vibrational Studies of Triclosan
NASA Astrophysics Data System (ADS)
Özişik, Haci; Bayari, S. Haman; Saǧlam, Semran
2010-01-01
The conformational equilibrium of triclosan (5-chloro-2-(2, 4-dichlorophenoxy) phenol) have been calculated using density functional theory (DFTe/B3LYP/6-311++G(d, p)) method. Four different geometries were found to correspond to energy minimum conformations. The IR spectrum of triclosan was measured in the 4000-400 cm-1 region. We calculated the harmonic frequencies and intensities of the most stable conformers in order to assist in the assignment of the vibrational bands in the experimental spectrum. The fundamental vibrational modes were characterized depending on their total energy distribution (TED%) using scaled quantum mechanical (SQM) force field method.
Tunable Passive Vibration Suppressor
NASA Technical Reports Server (NTRS)
Boechler, Nicholas (Inventor); Dillon, Robert Peter (Inventor); Daraio, Chiara (Inventor); Davis, Gregory L. (Inventor); Shapiro, Andrew A. (Inventor); Borgonia, John Paul C. (Inventor); Kahn, Daniel Louis (Inventor)
2016-01-01
An apparatus and method for vibration suppression using a granular particle chain. The granular particle chain is statically compressed and the end particles of the chain are attached to a payload and vibration source. The properties of the granular particles along with the amount of static compression are chosen to provide desired filtering of vibrations.
Hermetically sealed vibration damper
NASA Technical Reports Server (NTRS)
Wheatley, D. G.
1969-01-01
Simple fluidic vibration damper for installation at each pivotal mounting between gimbals isolates inertial measuring units from external vibration and other disruptive forces. Installation between each of the three gimbal axes can dampen vibration and shock in any direction while permitting free rotation of the gimbals.
NASA Astrophysics Data System (ADS)
Pisacane, Vincent L.
2005-06-01
Fundamentals of Space Systems was developed to satisfy two objectives: the first is to provide a text suitable for use in an advanced undergraduate or beginning graduate course in both space systems engineering and space system design. The second is to be a primer and reference book for space professionals wishing to broaden their capabilities to develop, manage the development, or operate space systems. The authors of the individual chapters are practicing engineers that have had extensive experience in developing sophisticated experimental and operational spacecraft systems in addition to having experience teaching the subject material. The text presents the fundamentals of all the subsystems of a spacecraft missions and includes illustrative examples drawn from actual experience to enhance the learning experience. It included a chapter on each of the relevant major disciplines and subsystems including space systems engineering, space environment, astrodynamics, propulsion and flight mechanics, attitude determination and control, power systems, thermal control, configuration management and structures, communications, command and telemetry, data processing, embedded flight software, survuvability and reliability, integration and test, mission operations, and the initial conceptual design of a typical small spacecraft mission.
Fundamental measure theory for hard-sphere mixtures: a review.
Roth, Roland
2010-02-17
Hard-sphere systems are one of the fundamental model systems of statistical physics and represent an important reference system for molecular or colloidal systems with soft repulsive or attractive interactions in addition to hard-core repulsion at short distances. Density functional theory for classical systems, as one of the core theoretical approaches of statistical physics of fluids and solids, has to be able to treat such an important system successfully and accurately. Fundamental measure theory is up to date the most successful and most accurate density functional theory for hard-sphere mixtures. Since its introduction fundamental measure theory has been applied to many problems, tested against computer simulations, and further developed in many respects. The literature on fundamental measure theory is already large and is growing fast. This review aims to provide a starting point for readers new to fundamental measure theory and an overview of important developments.
New model accurately predicts reformate composition
Ancheyta-Juarez, J.; Aguilar-Rodriguez, E. )
1994-01-31
Although naphtha reforming is a well-known process, the evolution of catalyst formulation, as well as new trends in gasoline specifications, have led to rapid evolution of the process, including: reactor design, regeneration mode, and operating conditions. Mathematical modeling of the reforming process is an increasingly important tool. It is fundamental to the proper design of new reactors and revamp of existing ones. Modeling can be used to optimize operating conditions, analyze the effects of process variables, and enhance unit performance. Instituto Mexicano del Petroleo has developed a model of the catalytic reforming process that accurately predicts reformate composition at the higher-severity conditions at which new reformers are being designed. The new AA model is more accurate than previous proposals because it takes into account the effects of temperature and pressure on the rate constants of each chemical reaction.
Time-resolved vibrational spectroscopy
Tokmakoff, Andrei; Champion, Paul; Heilweil, Edwin J.; Nelson, Keith A.; Ziegler, Larry
2009-05-14
This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE's Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation of reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all fiveof DOE's grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.
Fundamentals of zoological scaling
NASA Astrophysics Data System (ADS)
Lin, Herbert
1982-01-01
Most introductory physics courses emphasize highly idealized problems with unique well-defined answers. Though many textbooks complement these problems with estimation problems, few books present anything more than an elementary discussion of scaling. This paper presents some fundamentals of scaling in the zoological domain—a domain complex by any standard, but one also well suited to illustrate the power of very simple physical ideas. We consider the following animal characteristics: skeletal weight, speed of running, height and range of jumping, food consumption, heart rate, lifetime, locomotive efficiency, frequency of wing flapping, and maximum sizes of animals that fly and hover. These relationships are compared to zoological data and everyday experience, and match reasonably well.
Nuclei and Fundamental Symmetries
NASA Astrophysics Data System (ADS)
Haxton, Wick
2016-09-01
Nuclei provide marvelous laboratories for testing fundamental interactions, often enhancing weak processes through accidental degeneracies among states, and providing selection rules that can be exploited to isolate selected interactions. I will give an overview of current work, including the use of parity violation to probe unknown aspects of the hadronic weak interaction; nuclear electric dipole moment searches that may shed light on new sources of CP violation; and tests of lepton number violation made possible by the fact that many nuclei can only decay by rare second-order weak interactions. I will point to opportunities in both theory and experiment to advance the field. Based upon work supported in part by the US Department of Energy, Office of Science, Office of Nuclear Physics and SciDAC under Awards DE-SC00046548 (Berkeley), DE-AC02-05CH11231 (LBNL), and KB0301052 (LBNL).
Olive, Keith A.; Peloso, Marco; Uzan, Jean-Philippe
2011-02-15
We consider the signatures of a domain wall produced in the spontaneous symmetry breaking involving a dilatonlike scalar field coupled to electromagnetism. Domains on either side of the wall exhibit slight differences in their respective values of the fine-structure constant, {alpha}. If such a wall is present within our Hubble volume, absorption spectra at large redshifts may or may not provide a variation in {alpha} relative to the terrestrial value, depending on our relative position with respect to the wall. This wall could resolve the contradiction between claims of a variation of {alpha} based on Keck/Hires data and of the constancy of {alpha} based on Very Large Telescope data. We derive the properties of the wall and the parameters of the underlying microscopic model required to reproduce the possible spatial variation of {alpha}. We discuss the constraints on the existence of the low-energy domain wall and describe its observational implications concerning the variation of the fundamental constants.
Fundamentals of gel dosimeters
NASA Astrophysics Data System (ADS)
McAuley, K. B.; Nasr, A. T.
2013-06-01
Fundamental chemical and physical phenomena that occur in Fricke gel dosimeters, polymer gel dosimeters, micelle gel dosimeters and genipin gel dosimeters are discussed. Fricke gel dosimeters are effective even though their radiation sensitivity depends on oxygen concentration. Oxygen contamination can cause severe problems in polymer gel dosimeters, even when THPC is used. Oxygen leakage must be prevented between manufacturing and irradiation of polymer gels, and internal calibration methods should be used so that contamination problems can be detected. Micelle gel dosimeters are promising due to their favourable diffusion properties. The introduction of micelles to gel dosimetry may open up new areas of dosimetry research wherein a range of water-insoluble radiochromic materials can be explored as reporter molecules.
Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W
2015-03-01
For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered.
Airfoil Vibration Dampers program
NASA Technical Reports Server (NTRS)
Cook, Robert M.
1991-01-01
The Airfoil Vibration Damper program has consisted of an analysis phase and a testing phase. During the analysis phase, a state-of-the-art computer code was developed, which can be used to guide designers in the placement and sizing of friction dampers. The use of this computer code was demonstrated by performing representative analyses on turbine blades from the High Pressure Oxidizer Turbopump (HPOTP) and High Pressure Fuel Turbopump (HPFTP) of the Space Shuttle Main Engine (SSME). The testing phase of the program consisted of performing friction damping tests on two different cantilever beams. Data from these tests provided an empirical check on the accuracy of the computer code developed in the analysis phase. Results of the analysis and testing showed that the computer code can accurately predict the performance of friction dampers. In addition, a valuable set of friction damping data was generated, which can be used to aid in the design of friction dampers, as well as provide benchmark test cases for future code developers.
ERIC Educational Resources Information Center
Ford, T. A.
1979-01-01
In one option for this project, the rotation-vibration infrared spectra of a number of gaseous diatomic molecules were recorded, from which the fundamental vibrational wavenumber, the force constant, the rotation-vibration interaction constant, the equilibrium rotational constant, and the equilibrium internuclear distance were determined.…
Transient absorption of vibrationally excited water
NASA Astrophysics Data System (ADS)
Bakker, H. J.; Nienhuys, H.-K.; Gallot, G.; Lascoux, N.; Gale, G. M.; Leicknam, J.-C.; Bratos, S.
2002-02-01
We study the spectral response of the transition between the first and the second excited state of the O-H stretch vibration of HDO dissolved in liquid D2O with two-color femtosecond mid-infrared spectroscopy. The spectral response of this transition differs strongly from the fundamental absorption spectrum of the O-H stretch vibration. In addition, excitation of the O-H stretch vibration is observed to lead to a change of the hydrogen-bond dynamics of liquid water. We show that both these observations can be described with a refined quantum-mechanical version of the Lippincott-Schroeder model for hydrogen-bonded OH⋯O systems.
Fundamentals of chemistry modeling applicable to a vectorized particle simulation
NASA Technical Reports Server (NTRS)
Haas, Brian L.
1990-01-01
This paper describes the fundamentals of extending the vectorized particle simulation method derived by Baganoff and McDonald (1990), McDonald and Baganoff (1988), and McDonald (1989) for modeling chemically reacting flows. Details of reaction mechanics per reaction are presented, with particular attention given to the quantum nature of the vibrational mode. The models of reactive flows developed here were verified through a simulation of a superheated diatomic gas relaxing thermochemically to equilibrium in a reservoir.
NASA Astrophysics Data System (ADS)
Petitjean, Patrick; Wang, F. Y.; Wu, X. F.; Wei, J. J.
2016-12-01
Gamma-ray bursts (GRBs) are short and intense flashes at the cosmological distances, which are the most luminous explosions in the Universe. The high luminosities of GRBs make them detectable out to the edge of the visible universe. So, they are unique tools to probe the properties of high-redshift universe: including the cosmic expansion and dark energy, star formation rate, the reionization epoch and the metal evolution of the Universe. First, they can be used to constrain the history of cosmic acceleration and the evolution of dark energy in a redshift range hardly achievable by other cosmological probes. Second, long GRBs are believed to be formed by collapse of massive stars. So they can be used to derive the high-redshift star formation rate, which can not be probed by current observations. Moreover, the use of GRBs as cosmological tools could unveil the reionization history and metal evolution of the Universe, the intergalactic medium (IGM) properties and the nature of first stars in the early universe. But beyond that, the GRB high-energy photons can be applied to constrain Lorentz invariance violation (LIV) and to test Einstein's Equivalence Principle (EEP). In this paper, we review the progress on the GRB cosmology and fundamental physics probed by GRBs.
NASA Astrophysics Data System (ADS)
Kandel, Daniel; Levinski, Vladimir; Sapiens, Noam; Cohen, Guy; Amit, Eran; Klein, Dana; Vakshtein, Irina
2012-03-01
Currently, the performance of overlay metrology is evaluated mainly based on random error contributions such as precision and TIS variability. With the expected shrinkage of the overlay metrology budget to < 0.5nm, it becomes crucial to include also systematic error contributions which affect the accuracy of the metrology. Here we discuss fundamental aspects of overlay accuracy and a methodology to improve accuracy significantly. We identify overlay mark imperfections and their interaction with the metrology technology, as the main source of overlay inaccuracy. The most important type of mark imperfection is mark asymmetry. Overlay mark asymmetry leads to a geometrical ambiguity in the definition of overlay, which can be ~1nm or less. It is shown theoretically and in simulations that the metrology may enhance the effect of overlay mark asymmetry significantly and lead to metrology inaccuracy ~10nm, much larger than the geometrical ambiguity. The analysis is carried out for two different overlay metrology technologies: Imaging overlay and DBO (1st order diffraction based overlay). It is demonstrated that the sensitivity of DBO to overlay mark asymmetry is larger than the sensitivity of imaging overlay. Finally, we show that a recently developed measurement quality metric serves as a valuable tool for improving overlay metrology accuracy. Simulation results demonstrate that the accuracy of imaging overlay can be improved significantly by recipe setup optimized using the quality metric. We conclude that imaging overlay metrology, complemented by appropriate use of measurement quality metric, results in optimal overlay accuracy.
An ASAP treatment of vibrationally excited S2O: The ν3 mode and the ν3 + ν2 - ν2 hot band
NASA Astrophysics Data System (ADS)
Thorwirth, S.; Martin-Drumel, M. A.; Endres, C. P.; Salomon, T.; Zingsheim, O.; van Wijngaarden, J.; Pirali, O.; Gruet, S.; Lewen, F.; Schlemmer, S.; McCarthy, M. C.
2016-01-01
The fundamental S-S stretching mode ν3 of disulfur monoxide, S2O, located at 679 cm-1, has been investigated using Fourier-transform far-infrared spectroscopy at the SOLEIL synchrotron facility. A spectroscopic analysis has been performed using an Automated Spectral Assignment Procedure (ASAP) which permits accurate determination of more than 2000 energy levels from ν3. In addition, the ν3 + ν2 - ν2 hot band was observed for the first time and some 500 corresponding energy levels were assigned. The high-resolution synchrotron study was complemented with pure rotational spectra of S2O in the (v1, v2, v3) = (0, 0, 1) vibrational state observed in the frequency range from 250 to 280 GHz using a long-path absorption cell. From these combined measurements, extensive molecular parameter sets have been determined and precise band centers have been derived for both vibrational bands.
NASA Astrophysics Data System (ADS)
Kiani, Keivan
2017-02-01
A novel surface energy-based model is developed to examine more precisely vibrations of current-carrying double-nanowire-systems immersed in a longitudinal magnetic field. Using Biot-Savart and Lorentz laws, a more refined version of interwire interactional magnetic forces is presented. By employing Rayleigh beam theory, the equations of motion are derived. In fact, these are coupled integro-differential equations which are more accurate with respect to those of the previously developed models. For simply supported and clamped nanosystems, governing equations are analyzed via assumed mode method. The effects of interwire distance, slenderness ratio, electric current, magnetic field strength, and surface effect on the fundamental frequency are addressed carefully. The obtained results display the importance of exploiting the refined model for vibration analysis of nanosystems with low interwire distance, high electric current, and high magnetic field strength.
Free Vibration of Uncertain Unsymmetrically Laminated Beams
NASA Technical Reports Server (NTRS)
Kapania, Rakesh K.; Goyal, Vijay K.
2001-01-01
Monte Carlo Simulation and Stochastic FEA are used to predict randomness in the free vibration response of thin unsymmetrically laminated beams. For the present study, it is assumed that randomness in the response is only caused by uncertainties in the ply orientations. The ply orientations may become random or uncertain during the manufacturing process. A new 16-dof beam element, based on the first-order shear deformation beam theory, is used to study the stochastic nature of the natural frequencies. Using variational principles, the element stiffness matrix and mass matrix are obtained through analytical integration. Using a random sequence a large data set is generated, containing possible random ply-orientations. This data is assumed to be symmetric. The stochastic-based finite element model for free vibrations predicts the relation between the randomness in fundamental natural frequencies and the randomness in ply-orientation. The sensitivity derivatives are calculated numerically through an exact formulation. The squared fundamental natural frequencies are expressed in terms of deterministic and probabilistic quantities, allowing to determine how sensitive they are to variations in ply angles. The predicted mean-valued fundamental natural frequency squared and the variance of the present model are in good agreement with Monte Carlo Simulation. Results, also, show that variations between plus or minus 5 degrees in ply-angles can affect free vibration response of unsymmetrically and symmetrically laminated beams.
Vibrational Spectra and Structures of Silicon - Clusters
NASA Astrophysics Data System (ADS)
Presilla-Marquez, Jose-Domingo
1992-01-01
Fourier transform studies of silicon-carbon clusters produced by vaporizing mixtures of silicon and carbon-12 or carbon-13 and quenching the products in argon, have enabled the identification of new vibrational spectra and structures. The far infrared nu_3(b_2) fundamental has been found at 160.4 cm ^{-1} for SiC_2 . Its structure is now described as T-shaped with ionic bonding. In the case of Si_2C, a previously observed vibration at 1188.4 cm^ {-1} has been confirmed as the nu_3(b_2), antisymmetric Si -C stretching mode, and a new vibration at 839.5 cm ^{-1} has been identified as the nu_1(a_1), symmetric Si-Si stretching fundamental. The nu_2(a _1) bending mode has not been observed; however, the nu_2(a_1) + nu_3(b_2) combination band has been identified at 1354.8 cm^{-1} . The results of force constant adjustment calculations confirm the ground state geometry of Si_2 C as a floppy, bent symmetrical structure. Five out of six fundamental modes have been identified for the Si_3C cluster which is observed here for the first time: the symmetric breathing vibration, nu_1(a_1) = 658.2 cm ^{-1}; the Si_ beta-Si_alpha -Si_beta symmetric deformation vibration, nu_2(a_1) = 511.8 cm^{-1}; the Si beta-C-Si_{beta } symmetric deformation vibration, nu_3(a_1) = 309.5 cm ^{-1}; the Si_beta -C antisymmetric stretching vibration, nu_5(b_2) = 1101.4 cm ^{-1}; and the Si_ alpha-Si_beta antisymmetric stretching vibration, nu_6(b _2) = 357.6 cm^{-1} . The fundamental frequencies, relative intensities, and isotopic shifts are in excellent agreement with the results of ab initio calculations predicting a rhomboidal structure of C_{2v} symmetry for Si_3C, with carbon-silicon transannular bonding between the two equivalent Si atoms. Another new silicon-carbon cluster, rhombic Si _2C_2, has been identified and the nu_3(b_ {rm 1u}) = 982.9 and nu _4(b_{rm 2u}) = 382.2 cm^{-1} fundamentals have been assigned. These results are in excellent agreement with ab initio calculations. The first
Vibrating fuel grapple. [LMFBR
Chertock, A.J.; Fox, J.N.; Weissinger, R.B.
A reactor refueling method is described which utilizes a vibrating fuel grapple for removing spent fuel assemblies from a reactor core. It incorporates a pneumatic vibrator in the grapple head which allows additional withdrawal capability without exceeding the allowable axial force limit. The only moving part in the vibrator is a steel ball, pneumatically driven by a gas, such as argon, around a track, with centrifugal force created by the ball being transmitted through the grapple to the assembly handling socket.
Chertock, deceased, Alan J.; Fox, Jack N.; Weissinger, Robert B.
1982-01-01
A reactor refueling method utilizing a vibrating fuel grapple for removing spent fuel assemblies from a reactor core which incorporates a pneumatic vibrator in the grapple head, enabling additional withdrawal capability without exceeding the allowable axial force limit. The only moving part in the vibrator is a steel ball, pneumatically driven by a gas, such as argon, around a track, with centrifugal force created by the ball being transmitted through the grapple to the assembly handling socket.
Vibration and noise analysis of a gear transmission system
NASA Technical Reports Server (NTRS)
Choy, F. K.; Qian, W.; Zakrajsek, J. J.; Oswald, F. B.
1993-01-01
This paper presents a comprehensive procedure to predict both the vibration and noise generated by a gear transmission system under normal operating conditions. The gearbox vibrations were obtained from both numerical simulation and experimental studies using a gear noise test rig. In addition, the noise generated by the gearbox vibrations was recorded during the experimental testing. A numerical method was used to develop linear relationships between the gearbox vibration and the generated noise. The hypercoherence function is introduced to correlate the nonlinear relationship between the fundamental noise frequency and its harmonics. A numerical procedure was developed using both the linear and nonlinear relationships generated from the experimental data to predict noise resulting from the gearbox vibrations. The application of this methodology is demonstrated by comparing the numerical and experimental results from the gear noise test rig.
A novel vibration mode testing method for cylindrical resonators based on microphones.
Zhang, Yongmeng; Wu, Yulie; Wu, Xuezhong; Xi, Xiang; Wang, Jianqiu
2015-01-16
Non-contact testing is an important method for the study of the vibrating characteristic of cylindrical resonators. For the vibratory cylinder gyroscope excited by piezo-electric electrodes, mode testing of the cylindrical resonator is difficult. In this paper, a novel vibration testing method for cylindrical resonators is proposed. This method uses a MEMS microphone, which has the characteristics of small size and accurate directivity, to measure the vibration of the cylindrical resonator. A testing system was established, then the system was used to measure the vibration mode of the resonator. The experimental results show that the orientation resolution of the node of the vibration mode is better than 0.1°. This method also has the advantages of low cost and easy operation. It can be used in vibration testing and provide accurate results, which is important for the study of the vibration mode and thermal stability of vibratory cylindrical gyroscopes.
Kongsted, Jacob; Christiansen, Ove
2006-09-28
An automatic and general procedure for the calculation of geometrical derivatives of the energy and general property surfaces for molecular systems is developed and implemented. General expressions for an n-mode representation are derived, where the n-mode representation includes only the couplings between n or less degrees of freedom. The general expressions are specialized to derivative force fields and property surfaces, and a scheme for calculation of the numerical derivatives is implemented. The implementation is interfaced to electronic structure programs and may be used for both ground and excited electronic states. The implementation is done in the context of a vibrational structure program and can be used in combination with vibrational self-consistent field (VSCF), vibrational configuration interaction (VCI), vibrational Moller-Plesset, and vibrational coupled cluster calculations of anharmonic wave functions and calculation of vibrational averaged properties at the VSCF and VCI levels. Sample calculations are presented for fundamental vibrational energies and vibrationally averaged dipole moments and frequency dependent polarizabilities and hyperpolarizabilities of water and formaldehyde.
A refined finite element for vibration analysis of twisted blades based on beam theory
NASA Technical Reports Server (NTRS)
Sisto, F.; Chang, A. T.
1983-01-01
A finite element method of discretizing beam segments of pretwisted rotating blades is presented. Employing the matrix displacement method, stiffness and mass properties are developed from basic mechanics of a pretwisted beam theory. By introducing the proper displacement functions, the effect of rotor blade rotational motion on the stiffness matrix is obtained systematically from the kinetic energy expression. Comparing with other beam elements the derivation of this element is more fundamental. This allows one to apply the same approach to more complicated problems including nonlinear effects or complex dynamic motions. Illustrative examples are given comparing numerical results with available data and other numerical solutions from rotating and nonrotating force fields. These examples show that accurate prediction of vibration frequencies for pretwisted blades can be obtained by employing a quite modest number of degrees of freedom.
Fundamentals of Space Medicine
NASA Astrophysics Data System (ADS)
Clément, Gilles
2005-03-01
A total of more than 240 human space flights have been completed to date, involving about 450 astronauts from various countries, for a combined total presence in space of more than 70 years. The seventh long-duration expedition crew is currently in residence aboard the International Space Station, continuing a permanent presence in space that began in October 2000. During that time, investigations have been conducted on both humans and animal models to study the bone demineralization and muscle deconditioning, space motion sickness, the causes and possible treatment of postflight orthostatic intolerance, the changes in immune function, crew and crew-ground interactions, and the medical issues of living in a space environment, such as the effects of radiation or the risk of developing kidney stones. Some results of these investigations have led to fundamental discoveries about the adaptation of the human body to the space environment. Gilles Clément has been active in this research. This readable text presents the findings from the life science experiments conducted during and after space missions. Topics discussed in this book include: adaptation of sensory-motor, cardio-vascular, bone, and muscle systems to the microgravity of spaceflight; psychological and sociological issues of living in a confined, isolated, and stressful environment; operational space medicine, such as crew selection, training and in-flight health monitoring, countermeasures and support; results of space biology experiments on individual cells, plants, and animal models; and the impact of long-duration missions such as the human mission to Mars. The author also provides a detailed description of how to fly a space experiment, based on his own experience with research projects conducted onboard Salyut-7, Mir, Spacelab, and the Space Shuttle. Now is the time to look at the future of human spaceflight and what comes next. The future human exploration of Mars captures the imagination of both the
Fundamentals of Space Medicine
NASA Astrophysics Data System (ADS)
Clément, G.
2003-10-01
As of today, a total of more than 240 human space flights have been completed, involving about 450 astronauts from various countries, for a combined total presence in space of more than 70 years. The seventh long-duration expedition crew is currently in residence aboard the International Space Station, continuing a permanent presence in space that began in October 2000. During that time, investigations have been conducted on both humans and animal models to study the bone demineralization and muscle deconditioning, space motion sickness, the causes and possible treatment of postflight orthostatic intolerance, the changes in immune function, crew and crew-ground interactions, and the medical issues of living in a space environment, such as the effects of radiation or the risk of developing kidney stones. Some results of these investigations have led to fundamental discoveries about the adaptation of the human body to the space environment. Gilles Clément has been active in this research. This book presents in a readable text the findings from the life science experiments conducted during and after space missions. Topics discussed in this book include: adaptation of sensory-motor, cardiovascular, bone and muscle systems to the microgravity of spaceflight; psychological and sociological issues of living in a confined, isolated and stressful environment; operational space medicine, such as crew selection, training and in-flight health monitoring, countermeasures and support; results of space biology experiments on individual cells, plants, and animal models; and the impact of long-duration missions such as the human mission to Mars. The author also provides a detailed description of how to fly a space experiment, based on his own experience with research projects conducted onboard Salyut-7, Mir, Spacelab, and the Space Shuttle. Now is the time to look at the future of human spaceflight and what comes next. The future human exploration of Mars captures the imagination
Fundamental Limits to Nonlinear Energy Harvesting
NASA Astrophysics Data System (ADS)
Haji Hosseinloo, Ashkan; Turitsyn, Konstantin
2015-12-01
Linear and nonlinear vibration energy harvesting has been the focus of considerable research in recent years. However, fundamental limits on the harvestable energy of a harvester subjected to an arbitrary excitation force and different constraints is not yet fully understood. Understanding these limits is not only essential for an assessment of the technology potential, but it also provides a broader perspective on the current harvesting mechanisms and guidance in their improvement. Here, we derive the fundamental limits on the output power of an ideal energy harvester for arbitrary excitation waveforms and build on the current analysis framework for the simple computation of this limit for more sophisticated setups. We show that the optimal harvester maximizes the harvested energy through a mechanical analog of a buy-low-sell-high strategy. We also propose a nonresonant passive latch-assisted harvester to realize this strategy for an effective harvesting. It is shown that the proposed harvester harvests energy more effectively than its linear and bistable counterparts over a wider range of excitation frequencies and amplitudes. The buy-low-sell-high strategy also reveals why the conventional bistable harvester works well at low-frequency excitation.
NASA Astrophysics Data System (ADS)
Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae; Kwon, Chan Ho
2014-11-01
Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm-1 (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state (2A2), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C2v symmetry through the C-N axis.
Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae E-mail: hlkim@kangwon.ac.kr; Kwon, Chan Ho E-mail: hlkim@kangwon.ac.kr
2014-11-07
Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm{sup −1} (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state ({sup 2}A{sub 2}), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C{sub 2v} symmetry through the C-N axis.
Reduced vibration motor winding arrangement
Slavik, C.J.; Rhudy, R.G.; Bushman, R.E.
1997-11-11
An individual phase winding arrangement having a sixty electrical degree phase belt width for use with a three phase motor armature includes a delta connected phase winding portion and a wye connected phase winding portion. Both the delta and wye connected phase winding portions have a thirty electrical degree phase belt width. The delta and wye connected phase winding portions are each formed from a preselected number of individual coils each formed, in turn, from an unequal number of electrical conductor turns in the approximate ratio of {radical}3. The individual coils of the delta and wye connected phase winding portions may either be connected in series or parallel. This arrangement provides an armature winding for a three phase motor which retains the benefits of the widely known and utilized thirty degree phase belt concept, including improved mmf waveform and fundamental distribution factor, with consequent reduced vibrations and improved efficiency. 4 figs.
Reduced vibration motor winding arrangement
Slavik, Charles J.; Rhudy, Ralph G.; Bushman, Ralph E.
1997-01-01
An individual phase winding arrangement having a sixty electrical degree phase belt width for use with a three phase motor armature includes a delta connected phase winding portion and a wye connected phase winding portion. Both the delta and wye connected phase winding portions have a thirty electrical degree phase belt width. The delta and wye connected phase winding portions are each formed from a preselected number of individual coils each formed, in turn, from an unequal number of electrical conductor turns in the approximate ratio of .sqroot.3. The individual coils of the delta and wye connected phase winding portions may either be connected in series or parallel. This arrangement provides an armature winding for a three phase motor which retains the benefits of the widely known and utilized thirty degree phase belt concept, including improved mmf waveform and fundamental distribution factor, with consequent reduced vibrations and improved efficiency.
Multiple direction vibration fixture
Cericola, Fred; Doggett, James W.; Ernest, Terry L.; Priddy, Tommy G.
1991-01-01
An apparatus for simulating a rocket launch environment on a test item undergoing centrifuge testing by subjecting the item simultaneously or separately to vibration along an axis of centripetal force and along an axis perpendicular to the centripetal force axis. The apparatus includes a shaker motor supported by centrifuge arms and a right angle fixture pivotally connected to one of the shaker motor mounts. When the shaker motor vibrates along the centripetal force axis, the vibrations are imparted to a first side of the right angle fixture. The vibrations are transmitted 90 degrees around the pivot and are directed to a second side of the right angle fixture which imparts vibrations perpendicular to the centripetal force axis. The test item is in contact with a third side of the right angle fixture and receives both centripetal-force-axis vibrations and perpendicular axis vibrations simultaneously. A test item can be attached to the third side near the flexible coupling or near the air bag to obtain vibrations along the centripetal force axis or transverse to the centripetal force axis.
[Vibration on agricultural tractors].
Peretti, Alessandro; Delvecchio, Simone; Bonomini, Francesco; di Bisceglie, Anita Pasqua; Colosio, Claudio
2013-01-01
In the article, details related to the diffusion of agricultural tractors in Italy are given and considerations about the effects of vibration on operators, the sources of vibration and suggestions to reduce them are presented. The acceleration values observed in Italy amongst 244 tractors and levels of worker exposure are shown by means of histograms. The relevant data variability is discussed.
NASA Technical Reports Server (NTRS)
Kis, Z.; Janszky, J.; Vinogradov, An. V.; Kobayashi, T.
1996-01-01
The optical Schroedinger cat states are simple realizations of quantum states having nonclassical features. It is shown that vibrational analogues of such states can be realized in an experiment of double pulse excitation of vibrionic transitions. To track the evolution of the vibrational wave packet we derive a non-unitary time evolution operator so that calculations are made in a quasi Heisenberg picture.
Perceptual Space of Superimposed Dual-Frequency Vibrations in the Hands
Seo, Jeongil; Choi, Seungmoon
2017-01-01
The use of distinguishable complex vibrations that have multiple spectral components can improve the transfer of information by vibrotactile interfaces. We investigated the qualitative characteristics of dual-frequency vibrations as the simplest complex vibrations compared to single-frequency vibrations. Two psychophysical experiments were conducted to elucidate the perceptual characteristics of these vibrations by measuring the perceptual distances among single-frequency and dual-frequency vibrations. The perceptual distances of dual-frequency vibrations between their two frequency components along their relative intensity ratio were measured in Experiment I. The estimated perceptual spaces for three frequency conditions showed non-linear perceptual differences between the dual-frequency and single-frequency vibrations. A perceptual space was estimated from the measured perceptual distances among ten dual-frequency compositions and five single-frequency vibrations in Experiment II. The effect of the component frequency and the frequency ratio was revealed in the perceptual space. In a percept of dual-frequency vibration, the lower frequency component showed a dominant effect. Additionally, the perceptual difference among single-frequency and dual-frequency vibrations were increased with a low relative difference between two frequencies of a dual-frequency vibration. These results are expected to provide a fundamental understanding about the perception of complex vibrations to enrich the transfer of information using vibrotactile stimuli. PMID:28081187
Vibration control in accelerators
Montag, C.
2011-01-01
In the vast majority of accelerator applications, ground vibration amplitudes are well below tolerable magnet jitter amplitudes. In these cases, it is necessary and sufficient to design a rigid magnet support structure that does not amplify ground vibration. Since accelerator beam lines are typically installed at an elevation of 1-2m above ground level, special care has to be taken in order to avoid designing a support structure that acts like an inverted pendulum with a low resonance frequency, resulting in untolerable lateral vibration amplitudes of the accelerator components when excited by either ambient ground motion or vibration sources within the accelerator itself, such as cooling water pumps or helium flow in superconducting magnets. In cases where ground motion amplitudes already exceed the required jiter tolerances, for instance in future linear colliders, passive vibration damping or active stabilization may be considered.
Sorainen, E
1988-12-01
The vibration in nine halls of the six weaving mills was measured in 1978-80. The measurements were taken at regular intervals in the working area of the weavers, which was the wooden support attached to the machine or the floor of the textile mill. The accelerometer was mounted with screws onto the working area, and all vibration samples were analyzed immediately, in situ. The vibration of the floor was tangent to or exceeded slightly the "reduced comfort boundary" specified in International Standard ISO 2631/1 (1985) only in the areas where the floor was not against the ground. The greatest amount of vibration occurred on the supports which had been attached to the machines. On these supports the vibration in places exceeded the "fatigue-decreased proficiency boundary."
Vibration-rotation-tunneling dynamics in small water clusters
Pugliano, N.
1992-11-01
The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-d[sub 4]. Each of the VRT subbands originate from K[sub a][double prime]=0 and terminate in either K[sub a][prime]=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A[prime] rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K[sub a][prime] quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a[prime] symmetry, and the vibration is assigned as the [nu][sub 12] acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D[sub 2]O-DOH isotopomer.
Vibration-rotation-tunneling dynamics in small water clusters
Pugliano, N.
1992-11-01
The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm{sup {minus}1} intermolecular vibration of the water dimer-d{sub 4}. Each of the VRT subbands originate from K{sub a}{double_prime}=0 and terminate in either K{sub a}{prime}=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A{prime} rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K{sub a}{prime} quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a{prime} symmetry, and the vibration is assigned as the {nu}{sub 12} acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D{sub 2}O-DOH isotopomer.
The weak fundamental NH-stretching transition in amines.
Schrøder, Sidsel D; Hansen, Anne S; Wallberg, Jens H; Nielsen, Anne R; Du, Lin; Kjaergaard, Henrik G
2017-02-15
Absolute intensities of NH-stretching fundamental and overtone transitions of gas phase aniline, methylamine, ethylamine, cyclopropylamine, methylethylamine, diethylamine and pyrrolidine have been measured with long path length conventional absorption spectroscopy. To support the assignments of NH-stretching transitions, transition frequencies and intensities were calculated with the local mode model using ab initio calculated local mode parameters and dipole moment functions obtained at the CCSD(T)-F12a/VDZ-F12 level of theory. For aniline, the absolute intensities of the NH-stretching transitions show the typical decrease of approximately an order of magnitude for each successive vibrational excitation. For methylamine, ethylamine, cyclopropylamine, methylethylamine, diethylamine and pyrrolidine, the observed absolute intensities of the fundamental NH-stretching transition is weak and of similar strength or even weaker than the corresponding first overtone transition. Characteristic for the amines with a normal fundamental intensity is a conjugated double bond next to the amine group.
The weak fundamental NH-stretching transition in amines
NASA Astrophysics Data System (ADS)
Schrøder, Sidsel D.; Hansen, Anne S.; Wallberg, Jens H.; Nielsen, Anne R.; Du, Lin; Kjaergaard, Henrik G.
2017-02-01
Absolute intensities of NH-stretching fundamental and overtone transitions of gas phase aniline, methylamine, ethylamine, cyclopropylamine, methylethylamine, diethylamine and pyrrolidine have been measured with long path length conventional absorption spectroscopy. To support the assignments of NH-stretching transitions, transition frequencies and intensities were calculated with the local mode model using ab initio calculated local mode parameters and dipole moment functions obtained at the CCSD(T)-F12a/VDZ-F12 level of theory. For aniline, the absolute intensities of the NH-stretching transitions show the typical decrease of approximately an order of magnitude for each successive vibrational excitation. For methylamine, ethylamine, cyclopropylamine, methylethylamine, diethylamine and pyrrolidine, the observed absolute intensities of the fundamental NH-stretching transition is weak and of similar strength or even weaker than the corresponding first overtone transition. Characteristic for the amines with a normal fundamental intensity is a conjugated double bond next to the amine group.
Accurate Evaluation of Quantum Integrals
NASA Technical Reports Server (NTRS)
Galant, D. C.; Goorvitch, D.; Witteborn, Fred C. (Technical Monitor)
1995-01-01
Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schrodinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.
Differential equation based method for accurate approximations in optimization
NASA Technical Reports Server (NTRS)
Pritchard, Jocelyn I.; Adelman, Howard M.
1990-01-01
A method to efficiently and accurately approximate the effect of design changes on structural response is described. The key to this method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in most cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacements are used to approximate bending stresses.
NASA Astrophysics Data System (ADS)
Tang, Xiaolin; Yang, Wei; Hu, Xiaosong; Zhang, Dejiu
2017-02-01
In this study, based on our previous work, a novel simplified torsional vibration dynamic model is established to study the torsional vibration characteristics of a compound planetary hybrid propulsion system. The main frequencies of the hybrid driveline are determined. In contrast to vibration characteristics of the previous 16-degree of freedom model, the simplified model can be used to accurately describe the low-frequency vibration property of this hybrid powertrain. This study provides a basis for further vibration control of the hybrid powertrain during the process of engine start/stop.
Fundamental mechanisms of micromachine reliability
DE BOER,MAARTEN P.; SNIEGOWSKI,JEFFRY J.; KNAPP,JAMES A.; REDMOND,JAMES M.; MICHALSKE,TERRY A.; MAYER,THOMAS K.
2000-01-01
Due to extreme surface to volume ratios, adhesion and friction are critical properties for reliability of Microelectromechanical Systems (MEMS), but are not well understood. In this LDRD the authors established test structures, metrology and numerical modeling to conduct studies on adhesion and friction in MEMS. They then concentrated on measuring the effect of environment on MEMS adhesion. Polycrystalline silicon (polysilicon) is the primary material of interest in MEMS because of its integrated circuit process compatibility, low stress, high strength and conformal deposition nature. A plethora of useful micromachined device concepts have been demonstrated using Sandia National Laboratories' sophisticated in-house capabilities. One drawback to polysilicon is that in air the surface oxidizes, is high energy and is hydrophilic (i.e., it wets easily). This can lead to catastrophic failure because surface forces can cause MEMS parts that are brought into contact to adhere rather than perform their intended function. A fundamental concern is how environmental constituents such as water will affect adhesion energies in MEMS. The authors first demonstrated an accurate method to measure adhesion as reported in Chapter 1. In Chapter 2 through 5, they then studied the effect of water on adhesion depending on the surface condition (hydrophilic or hydrophobic). As described in Chapter 2, they find that adhesion energy of hydrophilic MEMS surfaces is high and increases exponentially with relative humidity (RH). Surface roughness is the controlling mechanism for this relationship. Adhesion can be reduced by several orders of magnitude by silane coupling agents applied via solution processing. They decrease the surface energy and render the surface hydrophobic (i.e. does not wet easily). However, only a molecular monolayer coats the surface. In Chapters 3-5 the authors map out the extent to which the monolayer reduces adhesion versus RH. They find that adhesion is independent of
An Evaluation of Fundamental Schools.
ERIC Educational Resources Information Center
Weber, Larry J.; And Others
1984-01-01
When compared with regular schools in the same district, fundamental school students performed as well as or better than regular school students; fundamental schools rated better on learning climate, discipline, and suspensions; and there were no differences in student self-concept. (Author/BW)
Multi-Exciter Vibroacoustic Simulation of Hypersonic Flight Vibration
GREGORY,DANNY LYNN; CAP,JEROME S.; TOGAMI,THOMAS C.; NUSSER,MICHAEL A.; HOLLINGSHEAD,JAMES RONALD
1999-11-11
Many aerospace structures must survive severe high frequency, hypersonic, random vibration during their flights. The random vibrations are generated by the turbulent boundary layer developed along the exterior of the structures during flight. These environments have not been simulated very well in the past using a fixed-based, single exciter input with an upper frequency range of 2 kHz. This study investigates the possibility of using acoustic ardor independently controlled multiple exciters to more accurately simulate hypersonic flight vibration. The test configuration, equipment, and methodology are described. Comparisons with actual flight measurements and previous single exciter simulations are also presented.
NASA Astrophysics Data System (ADS)
Dolmatov, E.; Zaharov, A.; Ilin, S.; Kuznetsov, I.; Nikiforov, A.
2016-11-01
The article covers a choice of main vibration parameter at an assessment of a vibration state of vertical Francis hydroturbines. At present time vibration velocity and vibration displacement are adopted as main parameters of non-rotating parts vibration in the international standard ISO 10816-5:2000 «Mechanical vibration — Evaluation of machine vibration by measurements on non-rotating parts — Part 5: Machine sets in hydraulic power generating and pumping plants» (further ISO 10816-5:2000). The hydraulic turbines refer to the slow-speed machines with rotation speed from 60 to 600 rpm (∼ 1 - 10 Hz). So maximum vibration displacements and dynamic stresses in hydraulic turbines supporting parts are in low-frequency region of vibration spectrum. In this report comparative data of hydro units supporting parts vibration velocity and vibration displacement measurements are presented. Using these data assessment of hydro units vibration state has been done. It is shown that the assessment of a hydro unit vibration state using parameter "vibration displacement" corresponds to the fundamental principles of operational reliability and fatigue strength of hydro units supporting parts. It is noted that when hydro units operate at small and partial loads with high low-frequency unsteady flow (f < frot) we have the smallest vibration velocity and the greatest vibration displacement of hydro units supporting parts. Specialists of LMZ (Saint-Petersburg) have developed Russian standard RD 24.023.117-88 «Vibration measurement and evaluation vibration state of vertical hydraulic turbines» which was published in 1989. In this document vibration displacement was considered as a main parameter. Evaluation of turbine vibration was performed according to the effecrive value of turbine supporting parts vibration displacement.
Does a pneumotach accurately characterize voice function?
NASA Astrophysics Data System (ADS)
Walters, Gage; Krane, Michael
2016-11-01
A study is presented which addresses how a pneumotach might adversely affect clinical measurements of voice function. A pneumotach is a device, typically a mask, worn over the mouth, in order to measure time-varying glottal volume flow. By measuring the time-varying difference in pressure across a known aerodynamic resistance element in the mask, the glottal volume flow waveform is estimated. Because it adds aerodynamic resistance to the vocal system, there is some concern that using a pneumotach may not accurately portray the behavior of the voice. To test this hypothesis, experiments were performed in a simplified airway model with the principal dimensions of an adult human upper airway. A compliant constriction, fabricated from silicone rubber, modeled the vocal folds. Variations of transglottal pressure, time-averaged volume flow, model vocal fold vibration amplitude, and radiated sound with subglottal pressure were performed, with and without the pneumotach in place, and differences noted. Acknowledge support of NIH Grant 2R01DC005642-10A1.
Accurate equilibrium structures for piperidine and cyclohexane.
Demaison, Jean; Craig, Norman C; Groner, Peter; Écija, Patricia; Cocinero, Emilio J; Lesarri, Alberto; Rudolph, Heinz Dieter
2015-03-05
Extended and improved microwave (MW) measurements are reported for the isotopologues of piperidine. New ground state (GS) rotational constants are fitted to MW transitions with quartic centrifugal distortion constants taken from ab initio calculations. Predicate values for the geometric parameters of piperidine and cyclohexane are found from a high level of ab initio theory including adjustments for basis set dependence and for correlation of the core electrons. Equilibrium rotational constants are obtained from GS rotational constants corrected for vibration-rotation interactions and electronic contributions. Equilibrium structures for piperidine and cyclohexane are fitted by the mixed estimation method. In this method, structural parameters are fitted concurrently to predicate parameters (with appropriate uncertainties) and moments of inertia (with uncertainties). The new structures are regarded as being accurate to 0.001 Å and 0.2°. Comparisons are made between bond parameters in equatorial piperidine and cyclohexane. Another interesting result of this study is that a structure determination is an effective way to check the accuracy of the ground state experimental rotational constants.
Accurate pose estimation for forensic identification
NASA Astrophysics Data System (ADS)
Merckx, Gert; Hermans, Jeroen; Vandermeulen, Dirk
2010-04-01
In forensic authentication, one aims to identify the perpetrator among a series of suspects or distractors. A fundamental problem in any recognition system that aims for identification of subjects in a natural scene is the lack of constrains on viewing and imaging conditions. In forensic applications, identification proves even more challenging, since most surveillance footage is of abysmal quality. In this context, robust methods for pose estimation are paramount. In this paper we will therefore present a new pose estimation strategy for very low quality footage. Our approach uses 3D-2D registration of a textured 3D face model with the surveillance image to obtain accurate far field pose alignment. Starting from an inaccurate initial estimate, the technique uses novel similarity measures based on the monogenic signal to guide a pose optimization process. We will illustrate the descriptive strength of the introduced similarity measures by using them directly as a recognition metric. Through validation, using both real and synthetic surveillance footage, our pose estimation method is shown to be accurate, and robust to lighting changes and image degradation.
Frequency-Dependent Attenuation of Blasting Vibration Waves
NASA Astrophysics Data System (ADS)
Zhou, Junru; Lu, Wenbo; Yan, Peng; Chen, Ming; Wang, Gaohui
2016-10-01
The dominant frequency, in addition to the peak particle velocity, is a critical factor for assessing adverse effects of the blasting vibration on surrounding structures; however, it has not been fully considered in blasting design. Therefore, the dominant frequency-dependent attenuation mechanism of blast-induced vibration is investigated in the present research. Starting with blasting vibration induced by a spherical charge propagating in an infinite viscoelastic medium, a modified expression of the vibration amplitude spectrum was derived to reveal the frequency dependency of attenuation. Then, ground vibration induced by more complex and more commonly used cylindrical charge that propagates in a semi-infinite viscoelastic medium was analyzed by numerical simulation. Results demonstrate that the absorptive property of the medium results in the frequency attenuation versus distance, whereas a rapid drop or fluctuation occurs during the attenuation of ground vibration. Fluctuation usually appears at moderate to far field, and the dominant frequency generally decreases to half the original value when rapid drop occurs. The decay rate discrepancy between different frequency components and the multimodal structure of vibration spectrum lead to the unsmooth frequency-dependent attenuation. The above research is verified by two field experiments. Furthermore, according to frequency-based vibration standards, frequency drop and fluctuation should be considered when evaluating blast safety. An optimized piecewise assessment is proposed for more accurate evaluation: With the frequency drop point as the breakpoint, the assessment is divided into two independent sections along the propagating path.
Vibration Analysis and the Accelerometer
ERIC Educational Resources Information Center
Hammer, Paul
2011-01-01
Have you ever put your hand on an electric motor or motor-driven electric appliance and felt it vibrate? Ever wonder why it vibrates? What is there about the operation of the motor, or the object to which it is attached, that causes the vibrations? Is there anything "regular" about the vibrations, or are they the result of random causes? In this…
An overview of the evolution of vibrating beam accelerometer technology
NASA Astrophysics Data System (ADS)
Norling, B. L.
The history of vibrating beam accelerometers (VBA) is briefly outlined, and the current status of VBA technology is reviewed. In particular, attention is given to the VBA design fundamentals and the performance characteristics of several state-of-the-art VBA models. Finally, prospects for the future development of VBAs and the effect of VBA technology on the inertial navigation industry are discussed.
Acoustic buffeting by infrasound in a low vibration facility.
MacLeod, B P; Hoffman, J E; Burke, S A; Bonn, D A
2016-09-01
Measurement instruments and fabrication tools with spatial resolution on the atomic scale require facilities that mitigate the impact of vibration sources in the environment. One approach to protection from vibration in a building's foundation is to place the instrument on a massive inertia block, supported on pneumatic isolators. This opens the questions of whether or not a massive floating block is susceptible to acoustic forces, and how to mitigate the effects of any such acoustic buffeting. Here this is investigated with quantitative measurements of vibrations and sound pressure, together with finite element modeling. It is shown that a particular concern, even in a facility with multiple acoustic enclosures, is the excitation of the lowest fundamental acoustic modes of the room by infrasound in the low tens of Hz range, and the efficient coupling of the fundamental room modes to a large inertia block centered in the room.
Acoustic buffeting by infrasound in a low vibration facility
NASA Astrophysics Data System (ADS)
MacLeod, B. P.; Hoffman, J. E.; Burke, S. A.; Bonn, D. A.
2016-09-01
Measurement instruments and fabrication tools with spatial resolution on the atomic scale require facilities that mitigate the impact of vibration sources in the environment. One approach to protection from vibration in a building's foundation is to place the instrument on a massive inertia block, supported on pneumatic isolators. This opens the questions of whether or not a massive floating block is susceptible to acoustic forces, and how to mitigate the effects of any such acoustic buffeting. Here this is investigated with quantitative measurements of vibrations and sound pressure, together with finite element modeling. It is shown that a particular concern, even in a facility with multiple acoustic enclosures, is the excitation of the lowest fundamental acoustic modes of the room by infrasound in the low tens of Hz range, and the efficient coupling of the fundamental room modes to a large inertia block centered in the room.
NIF Ambient Vibration Measurements
Noble, C.R.; Hoehler, M.S., S.C. Sommer
1999-11-29
LLNL has an ongoing research and development project that includes developing data acquisition systems with remote wireless communication for monitoring the vibrations of large civil engineering structures. In order to establish the capability of performing remote sensing over an extended period of time, the researchers needed to apply this technology to a real structure. The construction of the National Ignition Facility provided an opportunity to test the data acquisition system on a large structure to monitor whether the facility is remaining within the strict ambient vibration guidelines. This document will briefly discuss the NIF ambient vibration requirements and summarize the vibration measurements performed during the Spring and Summer of 1999. In addition, a brief description of the sensors and the data acquisition systems will be provided in Appendix B.
Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; ...
2015-05-07
Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this report, we present a theoretical formalism to demonstrate themore » slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. In conclusion, we also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions« less
Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; Fleming, Graham R.
2015-05-07
Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this paper, we present a theoretical formalism to demonstrate the slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. We also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions.
Dong, Hui; Lewis, Nicholas H C; Oliver, Thomas A A; Fleming, Graham R
2015-05-07
Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this paper, we present a theoretical formalism to demonstrate the slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. We also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions.
Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; Fleming, Graham R.
2015-05-07
Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this report, we present a theoretical formalism to demonstrate the slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. In conclusion, we also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions
Sensor validation and fusion for gas turbine vibration monitoring
NASA Astrophysics Data System (ADS)
Yan, Weizhong; Goebel, Kai F.
2003-08-01
Vibration monitoring is an important practice throughout regular operation of gas turbine power systems and, even more so, during characterization tests. Vibration monitoring relies on accurate and reliable sensor readings. To obtain accurate readings, sensors are placed such that the signal is maximized. In the case of characterization tests, strain gauges are placed at the location of vibration modes on blades inside the gas turbine. Due to the prevailing harsh environment, these sensors have a limited life and decaying accuracy, both of which impair vibration assessment. At the same time bandwidth limitations may restrict data transmission, which in turn limits the number of sensors that can be used for assessment. Knowing the sensor status (normal or faulty), and more importantly, knowing the true vibration level of the system all the time is essential for successful gas turbine vibration monitoring. This paper investigates a dynamic sensor validation and system health reasoning scheme that addresses the issues outlined above by considering only the information required to reliably assess system health status. In particular, if abnormal system health is suspected or if the primary sensor is determined to be faulted, information from available "sibling" sensors is dynamically integrated. A confidence expresses the complex interactions of sensor health and system health, their reliabilities, conflicting information, and what the health assessment is. Effectiveness of the scheme in achieving accurate and reliable vibration evaluation is then demonstrated using a combination of simulated data and a small sample of a real-world application data where the vibration of compressor blades during a real time characterization test of a new gas turbine power system is monitored.
Fundamental principles of particle detectors
Fernow, R.C.
1988-01-01
This paper goes through the fundamental physics of particles-matter interactions which is necessary for the detection of these particles with detectors. A listing of 41 concepts and detector principles are given. 14 refs., 11 figs.
Ablative Thermal Protection System Fundamentals
NASA Technical Reports Server (NTRS)
Beck, Robin A. S.
2013-01-01
This is the presentation for a short course on the fundamentals of ablative thermal protection systems. It covers the definition of ablation, description of ablative materials, how they work, how to analyze them and how to model them.
Philip J. Reid
2009-09-21
The conference focuses on using vibrational spectroscopy to probe structure and dynamics of molecules in gases, liquids, and interfaces. The goal is to bring together a collection of researchers who share common interests and who will gain from discussing work at the forefront of several connected areas. The intent is to emphasize the insights and understanding that studies of vibrations provide about a variety of systems.
Vibrational spectroscopy: a tool being developed for the noninvasive monitoring of wound healing
NASA Astrophysics Data System (ADS)
Crane, Nicole J.; Elster, Eric A.
2012-01-01
Wound care and management accounted for over 1.8 million hospital discharges in 2009. The complex nature of wound physiology involves hundreds of overlapping processes that we have only begun to understand over the past three decades. The management of wounds remains a significant challenge for inexperienced clinicians. The ensuing inflammatory response ultimately dictates the pace of wound healing and tissue regeneration. Consequently, the eventual timing of wound closure or definitive coverage is often subjective. Some wounds fail to close, or dehisce, despite the use and application of novel wound-specific treatment modalities. An understanding of the molecular environment of acute and chronic wounds throughout the wound-healing process can provide valuable insight into the mechanisms associated with the patient's outcome. Pathologic alterations of wounds are accompanied by fundamental changes in the molecular environment that can be analyzed by vibrational spectroscopy. Vibrational spectroscopy, specifically Raman and Fourier transform infrared spectroscopy, offers the capability to accurately detect and identify the various molecules that compose the extracellular matrix during wound healing in their native state. The identified changes might provide the objective markers of wound healing, which can then be integrated with clinical characteristics to guide the management of wounds.
Fundamental aspects of and failure modes in high-temperature composites
NASA Technical Reports Server (NTRS)
Chamis, Christos C.; Ginty, Carol A.
1990-01-01
Fundamental aspects of and attendant failure mechanisms for high temperature composites are summarized. These include: (1) in-situ matrix behavior; (2) load transfer; (3) limits on matrix ductility to survive a given number of cyclic loadings; (4) fundamental parameters which govern thermal stresses; (5) vibration stresses; and (6) impact resistance. The resulting guidelines are presented in terms of simple equations which are suitable for the preliminary assessment of the merits of a particular high temperature composite in a specific application.
NASA Astrophysics Data System (ADS)
Mukhopadhyay, Deb Pratim; Biswas, Souvick; Chakraborty, Tapas
2017-04-01
Low-frequency intermolecular vibrations in S0 and S1 states of p-fluorophenol (pFP) methanol binary complex have been studied using laser induced fluorescence (LIF) spectroscopy in a supersonic jet expansion. Vibrational fundamentals of five such modes show up in fluorescence excitation (FE) spectrum, and corresponding ground state frequencies are obtained measuring disperse fluorescence (DF) spectra. Signatures of strong coupling between the hydrogen bond stretching fundamental (σ01) and a ring mode of pFP moiety in S1 state are revealed. In comparison with the analogous pFP-water complex, the present system displays very low threshold (∼170 cm-1) for vibrational energy relaxation in S1 state.
Vibrational spectra, tautomerism and thermodynamics of anticarcinogenic drug: 5-Fluorouracil
NASA Astrophysics Data System (ADS)
Rastogi, V. K.; Palafox, M. Alcolea
2011-09-01
The FT-IR and FT-Raman spectra of 5-Fluorouracil were recorded in the solid phase in the regions 400-4000 cm -1 and 50-4000 cm -1, respectively. The vibrational spectra were analysed and the observed fundamentals were assigned to different normal modes of vibration. The experimental wavenumbers were compared with the scaled vibrational values using DFT methods: the Ar matrix data were related to gas phase calculations, while the values of the solid state spectra were compared to those with dimer simulations. The study indicates that some features that are characteristic of vibrational spectra of uracil and its derivatives are retained in the spectrum of 5-fluorouracil and it exists in ketonic form in the solid phase. The tautomerism was also studied and the spectra of the two most stable forms were simulated. The calculated wavenumbers have been employed to yield thermodynamic properties.
Structural and vibrational study of maprotiline
NASA Astrophysics Data System (ADS)
Yavuz, A. E.; Haman Bayarı, S.; Kazancı, N.
2009-04-01
Maprotiline ( N-methyl-9,10-ethanoanthracene-9(10H)-propanamine) is a tetra cyclic antidepressant. It is a highly selective inhibitor of norepinephrine reuptake. The solid and solution in CCl 4 and methanol infrared spectra of maprotiline were recorded. The fully optimized equilibrium structure of maprotiline was obtained from DFT calculations by using the B3LYP functional in combination with 6-31G and 6-311G(d,p) basis sets. The results of harmonic and anharmonic frequency calculations on maprotiline were presented. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical (SQM) force field. Vibrational assignment of all the fundamentals was made using the total energy distribution (TED). The possible interaction between maprotiline and neurotransmitter serotonin (5-HT) were investigated.
In-line sensor for accurate rf power measurements
NASA Astrophysics Data System (ADS)
Gahan, D.; Hopkins, M. B.
2005-10-01
An in-line sensor has been constructed with 50Ω characteristic impedance to accurately measure rf power dissipated in a matched or unmatched load with a view to being implemented as a rf discharge diagnostic. The physical construction and calibration technique are presented. The design is a wide band, hybrid directional coupler/current-voltage sensor suitable for fundamental and harmonic power measurements. A comparison with a standard wattmeter using dummy load impedances shows that this in-line sensor is significantly more accurate in mismatched conditions.
In-line sensor for accurate rf power measurements
Gahan, D.; Hopkins, M.B.
2005-10-15
An in-line sensor has been constructed with 50 {omega} characteristic impedance to accurately measure rf power dissipated in a matched or unmatched load with a view to being implemented as a rf discharge diagnostic. The physical construction and calibration technique are presented. The design is a wide band, hybrid directional coupler/current-voltage sensor suitable for fundamental and harmonic power measurements. A comparison with a standard wattmeter using dummy load impedances shows that this in-line sensor is significantly more accurate in mismatched conditions.
Force Limited Vibration Testing
NASA Technical Reports Server (NTRS)
Scharton, Terry; Chang, Kurng Y.
2005-01-01
This slide presentation reviews the concept and applications of Force Limited Vibration Testing. The goal of vibration testing of aerospace hardware is to identify problems that would result in flight failures. The commonly used aerospace vibration tests uses artificially high shaker forces and responses at the resonance frequencies of the test item. It has become common to limit the acceleration responses in the test to those predicted for the flight. This requires an analysis of the acceleration response, and requires placing accelerometers on the test item. With the advent of piezoelectric gages it has become possible to improve vibration testing. The basic equations have are reviewed. Force limits are analogous and complementary to the acceleration specifications used in conventional vibration testing. Just as the acceleration specification is the frequency spectrum envelope of the in-flight acceleration at the interface between the test item and flight mounting structure, the force limit is the envelope of the in-flight force at the interface . In force limited vibration tests, both the acceleration and force specifications are needed, and the force specification is generally based on and proportional to the acceleration specification. Therefore, force limiting does not compensate for errors in the development of the acceleration specification, e.g., too much conservatism or the lack thereof. These errors will carry over into the force specification. Since in-flight vibratory force data are scarce, force limits are often derived from coupled system analyses and impedance information obtained from measurements or finite element models (FEM). Fortunately, data on the interface forces between systems and components are now available from system acoustic and vibration tests of development test models and from a few flight experiments. Semi-empirical methods of predicting force limits are currently being developed on the basis of the limited flight and system test
NASA Astrophysics Data System (ADS)
Saito, A.; Kuroishi, M.; Nakai, H.
2016-09-01
This paper concerns the noise and structural vibration caused by rotating electric machines. Special attention is given to the magnetic-force induced vibration response of interior-permanent magnet machines. In general, to accurately predict and control the vibration response caused by the electric machines, it is inevitable to model not only the magnetic force induced by the fluctuation of magnetic fields, but also the structural dynamic characteristics of the electric machines and surrounding structural components. However, due to complicated boundary conditions and material properties of the components, such as laminated magnetic cores and varnished windings, it has been a challenge to compute accurate vibration response caused by the electric machines even after their physical models are available. In this paper, we propose a highly-accurate vibration prediction method that couples experimentally-obtained discrete structural transfer functions and numerically-obtained distributed magnetic-forces. The proposed vibration synthesis methodology has been applied to predict vibration responses of an interior permanent magnet machine. The results show that the predicted vibration response of the electric machine agrees very well with the measured vibration response for several load conditions, for wide frequency ranges.
Vibration damping for the Segmented Mirror Telescope
NASA Astrophysics Data System (ADS)
Maly, Joseph R.; Yingling, Adam J.; Griffin, Steven F.; Agrawal, Brij N.; Cobb, Richard G.; Chambers, Trevor S.
2012-09-01
The Segmented Mirror Telescope (SMT) at the Naval Postgraduate School (NPS) in Monterey is a next-generation deployable telescope, featuring a 3-meter 6-segment primary mirror and advanced wavefront sensing and correction capabilities. In its stowed configuration, the SMT primary mirror segments collapse into a small volume; once on location, these segments open to the full 3-meter diameter. The segments must be very accurately aligned after deployment and the segment surfaces are actively controlled using numerous small, embedded actuators. The SMT employs a passive damping system to complement the actuators and mitigate the effects of low-frequency (<40 Hz) vibration modes of the primary mirror segments. Each of the six segments has three or more modes in this bandwidth, and resonant vibration excited by acoustics or small disturbances on the structure can result in phase mismatches between adjacent segments thereby degrading image quality. The damping system consists of two tuned mass dampers (TMDs) for each of the mirror segments. An adjustable TMD with passive magnetic damping was selected to minimize sensitivity to changes in temperature; both frequency and damping characteristics can be tuned for optimal vibration mitigation. Modal testing was performed with a laser vibrometry system to characterize the SMT segments with and without the TMDs. Objectives of this test were to determine operating deflection shapes of the mirror and to quantify segment edge displacements; relative alignment of λ/4 or better was desired. The TMDs attenuated the vibration amplitudes by 80% and reduced adjacent segment phase mismatches to acceptable levels.
Emitted vibration measurement device and method
NASA Technical Reports Server (NTRS)
Gisler, G. L. (Inventor)
1986-01-01
This invention is directed to a method and apparatus for measuring emitted vibrational forces produced by a reaction wheel assembly due to imbalances, misalignment, bearing defects and the like. The apparatus includes a low mass carriage supported on a large mass base. The carriage is in the form of an octagonal frame having an opening which is adapted for receiving the reaction wheel assembly supported thereon by means of a mounting ring. The carriage is supported on the base by means of air bearings which support the carriage in a generally frictionless manner when supplied with compressed air from a source. A plurality of carriage brackets and a plurality of base blocks provided for physical coupling of the base and carriage. The sensing axes of the load cells are arranged generally parallel to the base and connected between the base and carriage such that all of the vibrational forces emitted by the reaction wheel assembly are effectively transmitted through the sensing axes of the load cells. In this manner, a highly reliable and accurate measurment of the vibrational forces of the reaction wheel assembly can be had. The output signals from the load cells are subjected to a dynamical analyzer which analyzes and identifies the rotor and spin bearing components which are causing the vibrational forces.
Dynamic atomic contributions to infrared intensities of fundamental bands.
Silva, Arnaldo F; Richter, Wagner E; Bassi, Adalberto B M S; Bruns, Roy E
2015-11-11
Dynamic atomic intensity contributions to fundamental infrared intensities are defined as the scalar products of dipole moment derivative vectors for atomic displacements and the total dipole derivative vector of the normal mode. Intensities of functional group vibrations of the fluorochloromethanes can be estimated within 6.5 km mol(-1) by displacing only the functional group atoms rather than all the atoms in the molecules. The asymmetric CF2 stretching intensity, calculated to be 126.5 km mol(-1) higher than the symmetric one, is accounted for by an 81.7 km mol(-1) difference owing to the carbon atom displacement and 40.6 km mol(-1) for both fluorine displacements. Within the Quantum Theory of Atoms in Molecules (QTAIM) model differences in atomic polarizations are found to be the most important for explaining the difference in these carbon dynamic intensity contributions. Carbon atom displacements almost completely account for the differences in the symmetric and asymmetric CCl2 stretching intensities of dichloromethane, 103.9 of the total calculated value of 105.2 km mol(-1). Contrary to that found for the CF2 vibrations intramolecular charge transfer provoked by the carbon atom displacement almost exclusively explains this difference. The very similar intensity values of the symmetric and asymmetric CH2 stretching intensities in CH2F2 arise from nearly equal carbon and hydrogen atom contributions for these vibrations. All atomic contributions to the intensities for these vibrations in CH2Cl2 are very small. Sums of dynamic contributions of the individual intensities for all vibrational modes of the molecule are shown to be equal to mass weighted atomic effective charges that can be determined from atomic polar tensors evaluated from experimental infrared intensities and frequencies. Dynamic contributions for individual intensities can also be determined solely from experimental data.
The vibration discomfort of standing people: evaluation of multi-axis vibration.
Thuong, Olivier; Griffin, Michael J
2015-01-01
Few studies have investigated discomfort caused by multi-axis vibration and none has explored methods of predicting the discomfort of standing people from simultaneous fore-and-aft, lateral and vertical vibration of a floor. Using the method of magnitude estimation, 16 subjects estimated their discomfort caused by dual-axis and tri-axial motions (octave-bands centred on either 1 or 4 Hz with various magnitudes in the fore-and-aft, lateral and vertical directions) and the discomfort caused by single-axis motions. The method of predicting discomfort assumed in current standards (square-root of the sums of squares of the three components weighted according to their individual contributions to discomfort) provided reasonable predictions of the discomfort caused by multi-axis vibration. Improved predictions can be obtained for specific stimuli, but no single simple method will provide accurate predictions for all stimuli because the rate of growth of discomfort with increasing magnitude of vibration depends on the frequency and direction of vibration.
Fundamental bands of S(32)O2(16)
NASA Technical Reports Server (NTRS)
Fox, K.; Tejwani, G. D. T.; Corice, R. J., Jr.
1972-01-01
The infrared-active vibration-rotation fundamentals of sulfur dioxide were measured with moderately high spectral resolution. Quantum number assignments were made for spectral lines from J = O to 57, by comparison with theoretically computed spectra which include the effects of centrifugal distortion. The following values for the band centers were determined: nu sub 1 = 1151.65 + or - 0.10/cm, nu sub 2 = 517.75 + or - 0.10/cm, and nu sub 3 = 1362.00 + or - 0.10/cm. Intensities of the observed lines have also been computed. Dipole moment derivatives were obtained.
Railway ground vibrations induced by wheel and rail singular defects
NASA Astrophysics Data System (ADS)
Kouroussis, Georges; Connolly, David P.; Alexandrou, Georgios; Vogiatzis, Konstantinos
2015-10-01
Railway local irregularities are a growing source of ground-borne vibration and can cause negative environmental impacts, particularly in urban areas. Therefore, this paper analyses the effect of railway track singular defects (discontinuities) on ground vibration generation and propagation. A vehicle/track/soil numerical railway model is presented, capable of accurately predicting vibration levels. The prediction model is composed of a multibody vehicle model, a flexible track model and a finite/infinite element soil model. Firstly, analysis is undertaken to assess the ability of wheel/rail contact models to accurately simulate the force generation at the wheel/rail contact, in the presence of a singular defect. It is found that, although linear contact models are sufficient for modelling ground vibration on smooth tracks, when singular defects are present higher accuracy wheel/rail models are required. Furthermore, it is found that the variation in wheel/rail force during the singular defect contact depends on the track flexibility, and thus requires a fully coupled vehicle/track/foundation model. Next, a parametric study of ground vibrations generated by singular rail and wheel defects is undertaken. Six shapes of discontinuity are modelled, representing various defect types such as transition zones, switches, crossings, rail joints and wheel flats. The vehicle is modelled as an AM96 train set and it is found that ground vibration levels are highly sensitive to defect height, length and shape.
Charmet, Andrea Pietropolli; Stoppa, Paolo; Tasinato, Nicola; Giorgianni, Santi; Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Cappelli, Chiara; Carnimeo, Ivan; Puzzarini, Cristina
2015-01-01
The vibrational analysis of the gas-phase infrared spectra of chlorofluoromethane (CH2ClF, HCFC-31) was carried out in the range 200 – 6200 cm−1. The assignment of the absorption features in terms of fundamental, overtone, combination and hot bands was performed on the medium-resolution (up to 0.2 cm−1) Fourier transform infrared (FTIR) spectra. From the absorption cross section spectra accurate values of the integrated band intensities were derived and the Global Warming Potential (GWP) of this compound was estimated, thus obtaining values of 323, 83 and 42 on a 20-, 100- and 500- year horizon, respectively. The set of spectroscopic parameters here presented provides the basic data to model the atmospheric behavior of this greenhouse gas. In addition, the obtained vibrational properties were used to benchmark the predictions of state-of-the-art quantum-chemical computational strategies. Extrapolated complete basis set (CBS) limit values for the equilibrium geometry and harmonic force field were obtained at the coupled-cluster singles and doubles level of theory augmented by a perturbative treatment of triple excitations, CCSD(T), in conjunction with a hierarchical series of correlation-consistent basis sets (cc-pVnZ, with n = T, Q and 5), taking also into account the core-valence (CV) correlation effects and the corrections due to diffuse (aug) functions. To obtain the cubic and quartic semi-diagonal force constants, calculations employing second-order Møller-Plesset perturbation (MP2) theory, the double-hybrid DFT functional (B2PLYP) as well as CCSD(T) were performed. For all anharmonic force fields the performances of two different perturbative approaches in computing the vibrational energy levels (i.e., the generalized second order vibrational treatment, GVPT2, and the recently proposed hybrid degeneracy corrected model, HDCPT2) were evaluated and the obtained results allowed us to validate the spectroscopic predictions yielded by the HDCPT2 approach
Future fundamental combustion research for aeropropulsion systems
NASA Technical Reports Server (NTRS)
Mularz, E. J.
1985-01-01
Physical fluid mechanics, heat transfer, and chemical kinetic processes which occur in the combustion chamber of aeropropulsion systems were investigated. With the component requirements becoming more severe for future engines, the current design methodology needs the new tools to obtain the optimum configuration in a reasonable design and development cycle. Research efforts in the last few years were encouraging but to achieve these benefits research is required into the fundamental aerothermodynamic processes of combustion. It is recommended that research continues in the areas of flame stabilization, combustor aerodynamics, heat transfer, multiphase flow and atomization, turbulent reacting flows, and chemical kinetics. Associated with each of these engineering sciences is the need for research into computational methods to accurately describe and predict these complex physical processes. Research needs in each of these areas are highlighted.
High precision modeling for fundamental physics experiments
NASA Astrophysics Data System (ADS)
Rievers, Benny; Nesemann, Leo; Costea, Adrian; Andres, Michael; Stephan, Ernst P.; Laemmerzahl, Claus
With growing experimental accuracies and high precision requirements for fundamental physics space missions the needs for accurate numerical modeling techniques are increasing. Motivated by the challenge of length stability in cavities and optical resonators we propose the develop-ment of a high precision modeling tool for the simulation of thermomechanical effects up to a numerical precision of 10-20 . Exemplary calculations for simplified test cases demonstrate the general feasibility of high precision calculations and point out the high complexity of the task. A tool for high precision analysis of complex geometries will have to use new data types, advanced FE solver routines and implement new methods for the evaluation of numerical precision.
Accurate Scientific Visualization in Research and Physics Teaching
NASA Astrophysics Data System (ADS)
Wendler, Tim
2011-10-01
Accurate visualization is key in the expression and comprehension of physical principles. Many 3D animation software packages come with built-in numerical methods for a variety of fundamental classical systems. Scripting languages give access to low-level computational functionality, thereby revealing a virtual physics laboratory for teaching and research. Specific examples will be presented: Galilean relativistic hair, energy conservation in complex systems, scattering from a central force, and energy transfer in bi-molecular reactions.
A spectral atlas of the nu(sub 12) fundamental of (13)C(12)CH6 in the 12 micron region
NASA Technical Reports Server (NTRS)
Weber, Mark; Reuter, Dennis C.; Sirota, J. Marcos; Blass, William E.; Hillman, John J.
1994-01-01
The recent discovery of the minor isotopomer of ethane, (13)C(12)CH6, in the planetary atmospheres of Jupiter and Neptune, added ethane to the molecules which can be used to determine isotopic (12)C(12)C ratios for the jovian planets. The increased spectral resolution and coverage of the IR and far-IR instruments to be carried on the Cassini mission to Saturn and Titan may enable the detection of the minor isotopomer. Accurate frequency and cross-section measurements of the nu(sub 12) fundamental under controlled laboratory condition are important to interpret current and future planetary spectra. High resolution spectra of the minor isotopomer (13)C(12)CH6 have been recorded in the 12.2 micron region using the Kitt Peak Fourier Transform (FTS) and the Goddard Tunable Diode Laser spectrometer (TDL). In a global fit to 19 molecular constants in a symmetric top Hamiltonian, transition frequencies of the nu(sub 12) fundamental ranging up to J=35 and K=20 have been determined with a standard deviation of less than 0.0005 cm(exp -1). From selected line intensity measurements, a vibrational dipole moment for the nu(sub 12) fundamental has been derived. Observed and calculated spectra covering the region from 740 cm(exp -1) and to 910 cm(exp -1) are presented. A compilation of transition frequencies, line intensities, and lower state energies are included for general use in the astronomical community.
A spectral atlas of the nu(sub 12) fundamental of (13)C(12)CH6 in the 12 micron region
NASA Astrophysics Data System (ADS)
Weber, Mark; Reuter, Dennis C.; Sirota, J. Marcos; Blass, William E.; Hillman, John J.
1994-05-01
The recent discovery of the minor isotopomer of ethane, (13)C(12)CH6, in the planetary atmospheres of Jupiter and Neptune, added ethane to the molecules which can be used to determine isotopic (12)C(12)C ratios for the jovian planets. The increased spectral resolution and coverage of the IR and far-IR instruments to be carried on the Cassini mission to Saturn and Titan may enable the detection of the minor isotopomer. Accurate frequency and cross-section measurements of the nu(sub 12) fundamental under controlled laboratory condition are important to interpret current and future planetary spectra. High resolution spectra of the minor isotopomer (13)C(12)CH6 have been recorded in the 12.2 micron region using the Kitt Peak Fourier Transform (FTS) and the Goddard Tunable Diode Laser spectrometer (TDL). In a global fit to 19 molecular constants in a symmetric top Hamiltonian, transition frequencies of the nu(sub 12) fundamental ranging up to J=35 and K=20 have been determined with a standard deviation of less than 0.0005 cm(exp -1). From selected line intensity measurements, a vibrational dipole moment for the nu(sub 12) fundamental has been derived. Observed and calculated spectra covering the region from 740 cm(exp -1) and to 910 cm(exp -1) are presented. A compilation of transition frequencies, line intensities, and lower state energies are included for general use in the astronomical community.
NASA Technical Reports Server (NTRS)
Moyer, E. T., Jr.
1984-01-01
The nonlinear vibration response of a double cantilevered beam subjected to pulse loading over a central sector is studied. The initial response is generated in detail to ascertain the energetics of the response. The total energy is used as a gauge of the stability and accuracy of the solution. It is shown that to obtain accurate and stable initial solutions an extremely high spatial and time resolution is required. This requirement was only evident through an examination of the energy of the system. It is proposed, therefore, to use the total energy of the system as a necessary stability and accuracy criterion for the nonlinear response of conservative systems. The results also demonstrate that even for moderate nonlinearities, the effects of membrane forces have a significant influence on the system. It is also shown that while the fundamental response is contained in a first mode envelope, the fluctuations caused by the higher order modes must be resolved.
Important Nearby Galaxies without Accurate Distances
NASA Astrophysics Data System (ADS)
McQuinn, Kristen
2014-10-01
The Spitzer Infrared Nearby Galaxies Survey (SINGS) and its offspring programs (e.g., THINGS, HERACLES, KINGFISH) have resulted in a fundamental change in our view of star formation and the ISM in galaxies, and together they represent the most complete multi-wavelength data set yet assembled for a large sample of nearby galaxies. These great investments of observing time have been dedicated to the goal of understanding the interstellar medium, the star formation process, and, more generally, galactic evolution at the present epoch. Nearby galaxies provide the basis for which we interpret the distant universe, and the SINGS sample represents the best studied nearby galaxies.Accurate distances are fundamental to interpreting observations of galaxies. Surprisingly, many of the SINGS spiral galaxies have numerous distance estimates resulting in confusion. We can rectify this situation for 8 of the SINGS spiral galaxies within 10 Mpc at a very low cost through measurements of the tip of the red giant branch. The proposed observations will provide an accuracy of better than 0.1 in distance modulus. Our sample includes such well known galaxies as M51 (the Whirlpool), M63 (the Sunflower), M104 (the Sombrero), and M74 (the archetypal grand design spiral).We are also proposing coordinated parallel WFC3 UV observations of the central regions of the galaxies, rich with high-mass UV-bright stars. As a secondary science goal we will compare the resolved UV stellar populations with integrated UV emission measurements used in calibrating star formation rates. Our observations will complement the growing HST UV atlas of high resolution images of nearby galaxies.
Kowalewski, Philipp; Frey, Hans-Martin; Infanger, Daniel; Leutwyler, Samuel
2015-11-12
Femtosecond time-resolved Raman rotational coherence spectroscopy (RCS) is employed to determine accurate rotational, vibration–rotation coupling constants, and centrifugal distortion constants of cyclopentane (C5H10). Its lowest-frequency vibration is a pseudorotating ring deformation that interconverts 10 permutationally distinct but energetically degenerate "twist" minima interspersed by 10 "bent" conformers. While the individual twist and bent structures are polar asymmetric tops, the pseudorotation is fast on the time scale of external rotation, rendering cyclopentane a fluxionally nonpolar symmetric top molecule. The pseudorotational level pattern corresponds to a one-dimensional internal rotor with a pseudorotation constant Bps ≈ 2.8 cm(-1). The pseudorotational levels are significantly populated up to l = ± 13 at 298 K; <10% of the molecules are in the l = 0 level. The next-higher vibration is the “radial” ν23 ring deformation mode at 273 cm–1, which is far above the pseudorotational fundamental. Femtosecond Raman RCS measurements were performed in a gas cell at T = 293 K and in a pulsed supersonic jet at T ≈ 90 K. The jet cooling reduces the pseudorotational distribution to l < ±8 and eliminates the population of ν23, allowing one to determine the rotational constant as A0 = B0 = 6484.930(11) MHz. This value is ∼300 times more precise than the previous value. The fit of the RCS transients reveals that the rotation–pseudorotation coupling constant αe,psB = −0.00070(1) MHz is diminutive, implying that excitation of the pseudorotation has virtually no effect on the B0 rotational constant of cyclopentane. The smallness of αe,psB can be realized when comparing to the vibration–rotation coupling constant of the ν23 vibration, αe,23B = -9.547(1) MHz, which is about 104 times larger.
Optimal piezoelectric switching technique for vibration damping
NASA Astrophysics Data System (ADS)
Neubauer, Marcus; Oleskiewicz, Robert
2007-04-01
This paper describes piezoelectric switching techniques for vibration damping. The dynamical behaviour of a piezoceramics connected to a switching LR shunt and the dissipated energy are obtained using a fundamental piezoelectric model. All calculations are performed in a normalized way and highlight the influence of the electromechanical coupling coefficient of the piezoceramics and the shunt parameters. For the first time, a precise result for the dynamics of a shunted piezoceramics is derived. The analytic results are used to determine the optimal switching sequence and external branch parameters in order to maximize the damping performance. The results are validated by measurements of a clamped beam.
NASA Astrophysics Data System (ADS)
Pippard, A. B.
1989-11-01
The study of vibration in physical systems is an important part of almost all fields in physics and engineering. This work, originally published in two volumes, examines the classical aspects in Part I and the quantum oscillator in Part II. The classical linear vibrator is treated first and the underlying unity of all linear oscillations in electrical, mechanical and acoustic systems is emphasized. Following this the book turns to the treatment of nonlinear vibrations, a field with which engineers and physicists are generally less familiar. In Part II the emphasis turns to quantum systems, that is those systems which can only be adequately described by quantum mechanics. The treatment concentrates on vibrations in atoms and molecules and their interaction with electromagnetic radiation. The similarities of classical and quantum methods are stressed and the limits of the classical treatment are examined. Throughout the book, each phenomenon discussed is illustrated with many examples and theory and experiment are compared. Although the reader may find that the physics discussed is demanding and the concepts are subtle in places, all mathematics used is familiar to both engineers and experimental scientists. Although not a textbook this is a useful introduction to the more advanced mathematical treatment of vibrations as it bridges the gap between the basic principles and more specialized concepts. It will be of great interest to advanced undergraduates and postgraduates as well as applied mathematicians, physicists and engineers in university and industry.
ERIC Educational Resources Information Center
Deliyski, Dimitar D.; Hillman, Robert E.; Mehta, Daryush D.
2015-01-01
Purpose: The authors discuss the rationale behind the term "laryngeal high-speed videoendoscopy" to describe the application of high-speed endoscopic imaging techniques to the visualization of vocal fold vibration. Method: Commentary on the advantages of using accurate and consistent terminology in the field of voice research is…
146 Kepler-Lamost targets fundamental parameters
NASA Astrophysics Data System (ADS)
Wu, Yaqian
2015-08-01
Accurate stellar fundamental parameters with high precision are important for distinguishing stellar populationand star study.Turn-off stars are in the relatively vital stellar evolution state. Studying turn-off stars can help us to have a more comprehensive understand of the stellar physics.With the help of observation provided by Lamost project, we obtain atmospheric parameters of 146 turn-off stars from LSP3 pipeline. Combined with stellar pulsation data from Kepler, we can get asteroseismic characteristic of stars,such as Δν and νmax.In this paper,we constructed a grid of evolutionary models, with the mass range from 0.8 to 2.5 M⊙ and metallicities Zini = 0.0085, 0.0105, 0.0130, 0.0165, 0.0200, 0.0250, 0.0300, 0.0400 (i.e.[Fe/H] from -0.3 to 0.4dex).All evolutionary tracks were started in the pre-main sequence birth line and ended at the base of Red Giant Branch.Based on the stellar model grid we constructed,as well as Kepler-Lamost observations, we obtained fundamental parameters of 146 around turn-off stars, and found that 112 targets lied in turn-off state or in the Main Sequence,15 targets are subgiant stars and 7 targets have evolved to the red giants stage.Then we use pulsation code(JIG) of Guenther to extract theorical individual frequencies and calculate theorical Δν.Meanwhile we obtained more precise fundamental parameters of these stars.
Astrophysical probes of fundamental physics
NASA Astrophysics Data System (ADS)
Martins, C. J. A. P.
2009-10-01
I review the motivation for varying fundamental couplings and discuss how these measurements can be used to constrain fundamental physics scenarios that would otherwise be inaccessible to experiment. I highlight the current controversial evidence for varying couplings and present some new results. Finally I focus on the relation between varying couplings and dark energy, and explain how varying coupling measurements might be used to probe the nature of dark energy, with some advantages over standard methods. In particular I discuss what can be achieved with future spectrographs such as ESPRESSO and CODEX.
Improved estimation of random vibration loads in launch vehicles
NASA Technical Reports Server (NTRS)
Mehta, R.; Erwin, E.; Suryanarayan, S.; Krishna, Murali M. R.
1993-01-01
Random vibration induced load is an important component of the total design load environment for payload and launch vehicle components and their support structures. The current approach to random vibration load estimation is based, particularly at the preliminary design stage, on the use of Miles' equation which assumes a single degree-of-freedom (DOF) system and white noise excitation. This paper examines the implications of the use of multi-DOF system models and response calculation based on numerical integration using the actual excitation spectra for random vibration load estimation. The analytical study presented considers a two-DOF system and brings out the effects of modal mass, damping and frequency ratios on the random vibration load factor. The results indicate that load estimates based on the Miles' equation can be significantly different from the more accurate estimates based on multi-DOF models.
Externally tuned vibration absorber
Vincent, Ronald J.
1987-09-22
A vibration absorber unit or units are mounted on the exterior housing of a hydraulic drive system of the type that is powered from a pressure wave generated, e.g., by a Stirling engine. The hydraulic drive system employs a piston which is hydraulically driven to oscillate in a direction perpendicular to the axis of the hydraulic drive system. The vibration absorbers each include a spring or other resilient member having one side affixed to the housing and another side to which an absorber mass is affixed. In a preferred embodiment, a pair of vibration absorbers is employed, each absorber being formed of a pair of leaf spring assemblies, between which the absorber mass is suspended.
Dooley, J.B.; Muhs, J.D.; Tobin, K.W.
1995-01-10
A fiber optic vibration sensor utilizes two single mode optical fibers supported by a housing with one optical fiber fixedly secured to the housing and providing a reference signal and the other optical fiber having a free span length subject to vibrational displacement thereof with respect to the housing and the first optical fiber for providing a signal indicative of a measurement of any perturbation of the sensor. Damping or tailoring of the sensor to be responsive to selected levels of perturbation is provided by altering the diameter of optical fibers or by immersing at least a portion of the free span length of the vibration sensing optical fiber into a liquid of a selected viscosity. 2 figures.
Dooley, Joseph B.; Muhs, Jeffrey D.; Tobin, Kenneth W.
1995-01-01
A fiber optic vibration sensor utilizes two single mode optical fibers supported by a housing with one optical fiber fixedly secured to the housing and providing a reference signal and the other optical fiber having a free span length subject to vibrational displacement thereof with respect to the housing and the first optical fiber for providing a signal indicative of a measurement of any perturbation of the sensor. Damping or tailoring of the sensor to be responsive to selected levels of perturbation is provided by altering the diameter of optical fibers or by immersing at least a portion of the free span length of the vibration sensing optical fiber into a liquid of a selected viscosity.
Vibrational spectroscopy of resveratrol
NASA Astrophysics Data System (ADS)
Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő
2007-11-01
In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.
Brake Fundamentals. Automotive Articulation Project.
ERIC Educational Resources Information Center
Cunningham, Larry; And Others
Designed for secondary and postsecondary auto mechanics programs, this curriculum guide contains learning exercises in seven areas: (1) brake fundamentals; (2) brake lines, fluid, and hoses; (3) drum brakes; (4) disc brake system and service; (5) master cylinder, power boost, and control valves; (6) parking brakes; and (7) trouble shooting. Each…
Light as a Fundamental Particle
ERIC Educational Resources Information Center
Weinberg, Steven
1975-01-01
Presents two arguments concerning the role of the photon. One states that the photon is just another particle distinguished by a particular value of charge, spin, mass, lifetime, and interaction properties. The second states that the photon plays a fundamental role with a deep relation to ultimate formulas of physics. (GS)
Environmental Law: Fundamentals for Schools.
ERIC Educational Resources Information Center
Day, David R.
This booklet outlines the environmental problems most likely to arise in schools. An overview provides a fundamental analysis of environmental issues rather than comprehensive analysis and advice. The text examines the concerns that surround superfund cleanups, focusing on the legal framework, and furnishes some practical pointers, such as what to…
Fundamentals of the Slide Library.
ERIC Educational Resources Information Center
Boerner, Susan Zee
This paper is an introduction to the fundamentals of the art (including architecture) slide library, with some emphasis on basic procedures of the science slide library. Information in this paper is particularly relevant to the college, university, and museum slide library. Topics addressed include: (1) history of the slide library; (2) duties of…
Fundamentals of Environmental Education. Report.
ERIC Educational Resources Information Center
1976
An outline of fundamental definitions, relationships, and human responsibilities related to environment provides a basis from which a variety of materials, programs, and activities can be developed. The outline can be used in elementary, secondary, higher education, or adult education programs. The framework is based on principles of the science…
Fundamentals of Welding. Teacher Edition.
ERIC Educational Resources Information Center
Fortney, Clarence; And Others
These instructional materials assist teachers in improving instruction on the fundamentals of welding. The following introductory information is included: use of this publication; competency profile; instructional/task analysis; related academic and workplace skills list; tools, materials, and equipment list; and 27 references. Seven units of…
Fundamentals of Microelectronics Processing (VLSI).
ERIC Educational Resources Information Center
Takoudis, Christos G.
1987-01-01
Describes a 15-week course in the fundamentals of microelectronics processing in chemical engineering, which emphasizes the use of very large scale integration (VLSI). Provides a listing of the topics covered in the course outline, along with a sample of some of the final projects done by students. (TW)
FUNdamental Movement in Early Childhood.
ERIC Educational Resources Information Center
Campbell, Linley
2001-01-01
Noting that the development of fundamental movement skills is basic to children's motor development, this booklet provides a guide for early childhood educators in planning movement experiences for children between 4 and 8 years. The booklet introduces a wide variety of appropriate practices to promote movement skill acquisition and increased…
Development of vibration isolation platform for low amplitude vibration
NASA Astrophysics Data System (ADS)
Lee, Dae-Oen; Park, Geeyong; Han, Jae-Hung
2014-03-01
The performance of high precision payloads on board a satellite is extremely sensitive to vibration. Although vibration environment of a satellite on orbit is very gentle compared to the launch environment, even a low amplitude vibration disturbances generated by reaction wheel assembly, cryocoolers, etc may cause serious problems in performing tasks such as capturing high resolution images. The most commonly taken approach to protect sensitive payloads from performance degrading vibration is application of vibration isolator. In this paper, development of vibration isolation platform for low amplitude vibration is discussed. Firstly, single axis vibration isolator is developed by adapting three parameter model using bellows and viscous fluid. The isolation performance of the developed single axis isolator is evaluated by measuring force transmissibility. The measured transmissibility shows that both the low Q-factor (about 2) and the high roll-off rate (about -40 dB/dec) are achieved with the developed isolator. Then, six single axis isolators are combined to form Stewart platform in cubic configuration to provide multi-axis vibration isolation. The isolation performance of the developed multi-axis isolator is evaluated using a simple prototype reaction wheel model in which wheel imbalance is the major source of vibration. The transmitted force without vibration isolator is measured and compared with the transmitted force with vibration isolator. More than 20 dB reduction of the X and Y direction (radial direction of flywheel) disturbance is observed for rotating wheel speed of 100 Hz and higher.
The Fundamental Manifold of Spheroids
NASA Astrophysics Data System (ADS)
Zaritsky, Dennis; Gonzalez, Anthony H.; Zabludoff, Ann I.
2006-02-01
We present a unifying empirical description of the structural and kinematic properties of all spheroids embedded in dark matter halos. We find that the intracluster stellar spheroidal components of galaxy clusters, which we call cluster spheroids (CSphs) and which are typically 100 times the size of normal elliptical galaxies, lie on a ``fundamental plane'' as tight as that defined by elliptical galaxies (rms in effective radius of ~0.07) but having a different slope. The slope, as measured by the coefficient of the logσ term, declines significantly and systematically between the fundamental planes of ellipticals, brightest cluster galaxies (BCGs), and CSphs. We attribute this decline primarily to a continuous change in Me/Le, the mass-to-light ratio within the effective radius re, with spheroid scale. The magnitude of the slope change requires that it arise principally from differences in the relative distributions of luminous and dark matter, rather than from stellar population differences such as in age and metallicity. By expressing the Me/Le term as a function of σ in the simple derivation of the fundamental plane and requiring the behavior of that term to mimic the observed nonlinear relationship between logMe/Le and logσ, we simultaneously fit a two-dimensional manifold to the measured properties of dwarf elliptical and elliptical galaxies, BCGs, and CSphs. The combined data have an rms scatter in logre of 0.114 (0.099 for the combination of ellipticals, BCGs, and CSphs), which is modestly larger than each fundamental plane has alone, but which includes the scatter introduced by merging different studies done in different filters by different investigators. This ``fundamental manifold'' fits the structural and kinematic properties of spheroids that span a factor of 100 in σ and 1000 in re. While our mathematical form is neither unique nor derived from physical principles, the tightness of the fit leaves little room for improvement by other unification
Accurate thermoplasmonic simulation of metallic nanoparticles
NASA Astrophysics Data System (ADS)
Yu, Da-Miao; Liu, Yan-Nan; Tian, Fa-Lin; Pan, Xiao-Min; Sheng, Xin-Qing
2017-01-01
Thermoplasmonics leads to enhanced heat generation due to the localized surface plasmon resonances. The measurement of heat generation is fundamentally a complicated task, which necessitates the development of theoretical simulation techniques. In this paper, an efficient and accurate numerical scheme is proposed for applications with complex metallic nanostructures. Light absorption and temperature increase are, respectively, obtained by solving the volume integral equation (VIE) and the steady-state heat diffusion equation through the method of moments (MoM). Previously, methods based on surface integral equations (SIEs) were utilized to obtain light absorption. However, computing light absorption from the equivalent current is as expensive as O(NsNv), where Ns and Nv, respectively, denote the number of surface and volumetric unknowns. Our approach reduces the cost to O(Nv) by using VIE. The accuracy, efficiency and capability of the proposed scheme are validated by multiple simulations. The simulations show that our proposed method is more efficient than the approach based on SIEs under comparable accuracy, especially for the case where many incidents are of interest. The simulations also indicate that the temperature profile can be tuned by several factors, such as the geometry configuration of array, beam direction, and light wavelength.
Accurate lineshape spectroscopy and the Boltzmann constant
Truong, G.-W.; Anstie, J. D.; May, E. F.; Stace, T. M.; Luiten, A. N.
2015-01-01
Spectroscopy has an illustrious history delivering serendipitous discoveries and providing a stringent testbed for new physical predictions, including applications from trace materials detection, to understanding the atmospheres of stars and planets, and even constraining cosmological models. Reaching fundamental-noise limits permits optimal extraction of spectroscopic information from an absorption measurement. Here, we demonstrate a quantum-limited spectrometer that delivers high-precision measurements of the absorption lineshape. These measurements yield a very accurate measurement of the excited-state (6P1/2) hyperfine splitting in Cs, and reveals a breakdown in the well-known Voigt spectral profile. We develop a theoretical model that accounts for this breakdown, explaining the observations to within the shot-noise limit. Our model enables us to infer the thermal velocity dispersion of the Cs vapour with an uncertainty of 35 p.p.m. within an hour. This allows us to determine a value for Boltzmann's constant with a precision of 6 p.p.m., and an uncertainty of 71 p.p.m. PMID:26465085
Vibration Propagation in Spider Webs
NASA Astrophysics Data System (ADS)
Hatton, Ross; Otto, Andrew; Elias, Damian
Due to their poor eyesight, spiders rely on web vibrations for situational awareness. Web-borne vibrations are used to determine the location of prey, predators, and potential mates. The influence of web geometry and composition on web vibrations is important for understanding spider's behavior and ecology. Past studies on web vibrations have experimentally measured the frequency response of web geometries by removing threads from existing webs. The full influence of web structure and tension distribution on vibration transmission; however, has not been addressed in prior work. We have constructed physical artificial webs and computer models to better understand the effect of web structure on vibration transmission. These models provide insight into the propagation of vibrations through the webs, the frequency response of the bare web, and the influence of the spider's mass and stiffness on the vibration transmission patterns. Funded by NSF-1504428.
Comparative estimation of vibrational entropy changes in proteins through normal modes analysis.
Carrington, Benjamin J; Mancera, Ricardo L
2004-10-01
We compare the vibrational entropy changes of proteins calculated using a full and a number of approximate normal modes analysis methods. The vibrational entropy differences for three conformational changes and three protein binding interactions were computed. In general, the approximate methods yield good estimates of the vibrational entropy change in a fraction of the time required by full normal modes analysis. The absolute entropies are either overestimated or greatly underestimated, but the difference is sufficiently accurate for some methods. This indicates that some of the approximate methods can give reasonable estimates of the associated vibrational entropy changes, making them suitable for inclusion in free energy calculations.
Concorde noise-induced building vibrations: John F. Kennedy International Airport
NASA Technical Reports Server (NTRS)
Mayes, W. H.; Stephens, D. G.; Deloach, R.; Cawthorn, J. M.; Holmes, H. K.; Lewis, R. B.; Holliday, B. G.; Ward, D. W.; Miller, W. T.
1978-01-01
Outdoor and indoor noise levels resulting from aircraft flyovers and certain nonaircraft events were recorded at eight homesites and a school along with the associated vibration levels in the walls, windows, and floors at these test sites. Limited subjective tests were conducted to examine the human detection and annoyance thresholds for building vibration and rattle caused by aircraft noise. Both vibration and rattle were detected subjectively in several houses for some operations of both the Concorde and subsonic aircraft. Seated subjects more readily detected floor vibrations than wall or window vibrations. Aircraft noise generally caused more window vibrations than common nonaircraft events such as walking and closing doors. Nonaircraft events and aircraft flyovers resulted in comparable wall vibration levels, while floor vibrations were generally greater for nonaircraft events than for aircraft flyovers. The relationship between structural vibration and aircraft noise is linear, with vibration levels being accurately predicted from overall sound pressure levels (OASPL) measured near the structure. Relatively high levels of structural vibration measured during Concorde operations are due more to higher OASPL levels than to unique Concorde-source characteristics.
Cryns, Jackson W.; Hatchell, Brian K.; Santiago-Rojas, Emiliano; Silvers, Kurt L.
2013-07-01
Formal journal article Experimental analysis of a piezoelectric energy harvesting system for harmonic, random, and sine on random vibration Abstract: Harvesting power with a piezoelectric vibration powered generator using a full-wave rectifier conditioning circuit is experimentally compared for varying sinusoidal, random and sine on random (SOR) input vibration scenarios. Additionally, the implications of source vibration characteristics on harvester design are discussed. Studies in vibration harvesting have yielded numerous alternatives for harvesting electrical energy from vibrations but piezoceramics arose as the most compact, energy dense means of energy transduction. The rise in popularity of harvesting energy from ambient vibrations has made piezoelectric generators commercially available. Much of the available literature focuses on maximizing harvested power through nonlinear processing circuits that require accurate knowledge of generator internal mechanical and electrical characteristics and idealization of the input vibration source, which cannot be assumed in general application. In this manuscript, variations in source vibration and load resistance are explored for a commercially available piezoelectric generator. We characterize the source vibration by its acceleration response for repeatability and transcription to general application. The results agree with numerical and theoretical predictions for in previous literature that load optimal resistance varies with transducer natural frequency and source type, and the findings demonstrate that significant gains are seen with lower tuned transducer natural frequencies for similar source amplitudes. Going beyond idealized steady state sinusoidal and simplified random vibration input, SOR testing allows for more accurate representation of real world ambient vibration. It is shown that characteristic interactions from more complex vibrational sources significantly alter power generation and power processing
Fundamental Parameters of 4 Massive Eclipsing Binaries in Westerlund 1
NASA Astrophysics Data System (ADS)
Bonanos, Alceste Z.; Koumpia, E.
2011-05-01
We present fundamental parameters of 4 massive eclipsing binaries in the young massive cluster Westerlund 1. The goal is to measure accurate masses and radii of their component stars, which provide much needed constraints for evolutionary models of massive stars. Accurate parameters can further be used to determine a dynamical lower limit for the magnetar progenitor and to obtain an independent distance to the cluster. Our results confirm and extend the evidence for a high mass for the progenitor of the magnetar. The authors acknowledge research and travel support from the European Commission Framework Program Seven under the Marie Curie International Reintegration Grant PIRG04-GA-2008-239335.
On numerically accurate finite element
NASA Technical Reports Server (NTRS)
Nagtegaal, J. C.; Parks, D. M.; Rice, J. R.
1974-01-01
A general criterion for testing a mesh with topologically similar repeat units is given, and the analysis shows that only a few conventional element types and arrangements are, or can be made suitable for computations in the fully plastic range. Further, a new variational principle, which can easily and simply be incorporated into an existing finite element program, is presented. This allows accurate computations to be made even for element designs that would not normally be suitable. Numerical results are given for three plane strain problems, namely pure bending of a beam, a thick-walled tube under pressure, and a deep double edge cracked tensile specimen. The effects of various element designs and of the new variational procedure are illustrated. Elastic-plastic computation at finite strain are discussed.
Blade Vibration Measurement System
NASA Technical Reports Server (NTRS)
Platt, Michael J.
2014-01-01
The Phase I project successfully demonstrated that an advanced noncontacting stress measurement system (NSMS) could improve classification of blade vibration response in terms of mistuning and closely spaced modes. The Phase II work confirmed the microwave sensor design process, modified the sensor so it is compatible as an upgrade to existing NSMS, and improved and finalized the NSMS software. The result will be stand-alone radar/tip timing radar signal conditioning for current conventional NSMS users (as an upgrade) and new users. The hybrid system will use frequency data and relative mode vibration levels from the radar sensor to provide substantially superior capabilities over current blade-vibration measurement technology. This frequency data, coupled with a reduced number of tip timing probes, will result in a system capable of detecting complex blade vibrations that would confound traditional NSMS systems. The hardware and software package was validated on a compressor rig at Mechanical Solutions, Inc. (MSI). Finally, the hybrid radar/tip timing NSMS software package and associated sensor hardware will be installed for use in the NASA Glenn spin pit test facility.
NASA Technical Reports Server (NTRS)
Ivanco, Thomas G. (Inventor)
2014-01-01
A vibration damper includes a rigid base with a mass coupled thereto for linear movement thereon. Springs coupled to the mass compress in response to the linear movement along either of two opposing directions. A converter coupled to the mass converts the linear movement to a corresponding rotational movement. A rotary damper coupled to the converter damps the rotational movement.
Nonlinear vibrational microscopy
Holtom, Gary R.; Xie, Xiaoliang Sunney; Zumbusch, Andreas
2000-01-01
The present invention is a method and apparatus for microscopic vibrational imaging using coherent Anti-Stokes Raman Scattering or Sum Frequency Generation. Microscopic imaging with a vibrational spectroscopic contrast is achieved by generating signals in a nonlinear optical process and spatially resolved detection of the signals. The spatial resolution is attained by minimizing the spot size of the optical interrogation beams on the sample. Minimizing the spot size relies upon a. directing at least two substantially co-axial laser beams (interrogation beams) through a microscope objective providing a focal spot on the sample; b. collecting a signal beam together with a residual beam from the at least two co-axial laser beams after passing through the sample; c. removing the residual beam; and d. detecting the signal beam thereby creating said pixel. The method has significantly higher spatial resolution then IR microscopy and higher sensitivity than spontaneous Raman microscopy with much lower average excitation powers. CARS and SFG microscopy does not rely on the presence of fluorophores, but retains the resolution and three-dimensional sectioning capability of confocal and two-photon fluorescence microscopy. Complementary to these techniques, CARS and SFG microscopy provides a contrast mechanism based on vibrational spectroscopy. This vibrational contrast mechanism, combined with an unprecedented high sensitivity at a tolerable laser power level, provides a new approach for microscopic investigations of chemical and biological samples.
Moore, Craig D.; Johnson, Todd; Martens, Mike; Syphers, Mike; McCrory, E.; McGee, Mike; Reilly, Rob; /Fermilab
1999-08-01
This is an attempt to document some of the measurements and analysis relating to the modulation of the spill due to the vibration of the magnets in the new C0 area. Not all of the relevant graphs were saved at the time, however an attempt has been made to show representative illustrations albeit not in the proper chronological order.
Friction induced rail vibrations
NASA Astrophysics Data System (ADS)
Kralov, Ivan; Sinapov, Petko; Nedelchev, Krasimir; Ignatov, Ignat
2012-11-01
A model of rail, considered as multiple supported beam, subjected on friction induced vibration is studied in this work using FEM. The model is presented as continuous system and the mass and elastic properties of a real object are taken into account. The friction forces are nonlinear functions of the relative velocity during slipping. The problem is solved using Matlab Simulink.
NASA Astrophysics Data System (ADS)
Cartmell, Matthew P.
2016-09-01
The Editor wishes to make the reader aware that the paper "A new method for predicting nonlinear structural vibrations induced by ground impact loading" by Jun Liu, Yu Zhang, Bin Yun, Journal of Sound and Vibration, 331 (2012) 2129-2140, did not contain a direct citation of the fundamental and original work in this field by Dr. Mark Svinkin. The Editor regrets that this omission was not noted at the time that the above paper was accepted and published.
Esselman, Brian J.; Amberger, Brent K.; Shutter, Joshua D.; Daane, Mitchell A.; Woods, R. Claude; McMahon, Robert J.; Stanton, John F.
2013-12-14
The rotational spectrum of pyridazine (o-C{sub 4}H{sub 4}N{sub 2}), the ortho disubstituted nitrogen analog of benzene, has been measured and analyzed in the gas phase. For the ground vibrational state of the normal isotopolog, over 2000 individual rotational transitions have been identified between 238 and 360 GHz and have been fit to 13 parameters of a 6th-order centrifugal distortion Hamiltonian. All transitions in this frequency region can now be predicted from this model to near experimental accuracy, i.e., well enough for the purpose of any future radio-astronomical search for this species. Three isotopologs, [3-{sup 13}C]-C{sub 4}H{sub 4}N{sub 2}, [4-{sup 13}C]-C{sub 4}H{sub 4}N{sub 2}, and [1-{sup 15}N]-C{sub 4}H{sub 4}N{sub 2}, have been detected in natural abundance, and several hundred lines have been measured for each of these species and fit to 6th-order Hamiltonians. Ten additional isotopologs were synthesized with enhanced deuterium substitution and analyzed to allow for a complete structure determination. The equilibrium structure (R{sub e}) of pyridazine was obtained by correcting the experimental rotational constants for the effects of vibration-rotation coupling using interaction constants predicted from CCSD(T) calculations with an ANO0 basis set and further correcting for the effect of electron mass. The final R{sub e} structural parameters are determined with excellent accuracy, as evidenced by their ability to predict 28 independent moments of inertia (I{sub a} and I{sub b} for 14 isotopologs) very well from 9 structural parameters. The rotational spectra of the six lowest-energy fundamental vibrational satellites of the main isotopolog have been detected. The rotational spectra of the five lowest-energy vibrational satellites have been assigned and fit to yield accurate rotational and distortion constants, while the fit and assignment for the sixth is less complete. The resultant vibration-rotation interaction (α) constants are found to
NASA Astrophysics Data System (ADS)
Esselman, Brian J.; Amberger, Brent K.; Shutter, Joshua D.; Daane, Mitchell A.; Stanton, John F.; Woods, R. Claude; McMahon, Robert J.
2013-12-01
The rotational spectrum of pyridazine (o-C4H4N2), the ortho disubstituted nitrogen analog of benzene, has been measured and analyzed in the gas phase. For the ground vibrational state of the normal isotopolog, over 2000 individual rotational transitions have been identified between 238 and 360 GHz and have been fit to 13 parameters of a 6th-order centrifugal distortion Hamiltonian. All transitions in this frequency region can now be predicted from this model to near experimental accuracy, i.e., well enough for the purpose of any future radio-astronomical search for this species. Three isotopologs, [3-13C]-C4H4N2, [4-13C]-C4H4N2, and [1-15N]-C4H4N2, have been detected in natural abundance, and several hundred lines have been measured for each of these species and fit to 6th-order Hamiltonians. Ten additional isotopologs were synthesized with enhanced deuterium substitution and analyzed to allow for a complete structure determination. The equilibrium structure (Re) of pyridazine was obtained by correcting the experimental rotational constants for the effects of vibration-rotation coupling using interaction constants predicted from CCSD(T) calculations with an ANO0 basis set and further correcting for the effect of electron mass. The final Re structural parameters are determined with excellent accuracy, as evidenced by their ability to predict 28 independent moments of inertia (Ia and Ib for 14 isotopologs) very well from 9 structural parameters. The rotational spectra of the six lowest-energy fundamental vibrational satellites of the main isotopolog have been detected. The rotational spectra of the five lowest-energy vibrational satellites have been assigned and fit to yield accurate rotational and distortion constants, while the fit and assignment for the sixth is less complete. The resultant vibration-rotation interaction (α) constants are found to be in excellent agreement with ones predicted from coupled-cluster calculations, which proved to be the key to
Nonlinear frequency response analysis of structural vibrations
NASA Astrophysics Data System (ADS)
Weeger, Oliver; Wever, Utz; Simeon, Bernd
2014-12-01
In this paper we present a method for nonlinear frequency response analysis of mechanical vibrations of 3-dimensional solid structures. For computing nonlinear frequency response to periodic excitations, we employ the well-established harmonic balance method. A fundamental aspect for allowing a large-scale application of the method is model order reduction of the discretized equation of motion. Therefore we propose the utilization of a modal projection method enhanced with modal derivatives, providing second-order information. For an efficient spatial discretization of continuum mechanics nonlinear partial differential equations, including large deformations and hyperelastic material laws, we employ the concept of isogeometric analysis. Isogeometric finite element methods have already been shown to possess advantages over classical finite element discretizations in terms of higher accuracy of numerical approximations in the fields of linear vibration and static large deformation analysis. With several computational examples, we demonstrate the applicability and accuracy of the modal derivative reduction method for nonlinear static computations and vibration analysis. Thus, the presented method opens a promising perspective on application of nonlinear frequency analysis to large-scale industrial problems.
Harvesting Vibrational Energy Using Material Work Functions
Varpula, Aapo; Laakso, Sampo J.; Havia, Tahvo; Kyynäräinen, Jukka; Prunnila, Mika
2014-01-01
Vibration energy harvesters scavenge energy from mechanical vibrations to energise low power electronic devices. In this work, we report on vibration energy harvesting scheme based on the charging phenomenon occurring naturally between two bodies with different work functions. Such work function energy harvester (WFEH) is similar to electrostatic energy harvester with the fundamental distinction that neither external power supplies nor electrets are needed. A theoretical model and description of different operation modes of WFEHs are presented. The WFEH concept is tested with macroscopic experiments, which agree well with the model. The feasibility of miniaturizing WFEHs is shown by simulating a realistic MEMS device. The WFEH can be operated as a charge pump that pushes charge and energy into an energy storage element. We show that such an operation mode is highly desirable for applications and that it can be realised with either a charge shuttle or with switches. The WFEH is shown to give equal or better output power in comparison to traditional electrostatic harvesters. Our findings indicate that WFEH has great potential in energy harvesting applications. PMID:25348004
Thermally induced vibrations due to internal heat generation
NASA Astrophysics Data System (ADS)
Blandino, Joseph Robert
Virtually all previous research on thermally induced vibrations has investigated vibrations caused by surface heating. This is the first detailed study of a thermally induced vibration caused by surface cooling. The phenomenon is shown to be driven by thermal moments. The thermal moments are caused by convection because the vibrations occur in air but not in a vacuum. A mathematical model was developed to predict the thermal-structural behavior of an internally heated beam. The convection heat transfer for a vibrating beam is complex. In most cases it is neither completely natural nor completely forced convection. The convection heat transfer is a mix of both components. The convection is further complicated by the transition of the airflow along the beam from laminar to turbulent flow. An experimental heat transfer investigation was conducted to determine expressions for the natural and forced convection as functions of both position along the beam and velocity. The results from the model were verified using experimental data for an internally heated beam undergoing thermally induced vibrations. The model was shown to predict the steady-state temperatures accurately. The model adequately predicted the steady-state displacements, although it predicted the displacement histories with some error. The analysis showed that the thermal and structural problems are coupled by the forced convection. Once initiated, the amplitude of the vibration increases until the amplitude is such that the heat removed by convection balances the internal heating. The steady-state amplitude is not affected by the initial displacement of the beam. Thermally induced vibrations of internally heated beams belong to the class of vibrations called self-sustaining oscillations.
NASA Astrophysics Data System (ADS)
Ulenikov, O. N.; Bekhtereva, E. S.; Albert, S.; Bauerecker, S.; Niederer, H. M.; Quack, M.
2014-12-01
We have recorded the complete infrared spectrum of methane 12CH4 and its second most abundant isotopomer 13CH4 extending from the fundamental range starting at 1000 cm-1 up to the overtone region near 12 000 cm-1 in the near infrared at the limit towards the visible range, at temperatures of about 80 K and also at 298 K with Doppler limited resolution in the gas phase by means of interferometric Fourier transform spectroscopy using the Bruker IFS 125 HR prototype (ZP 2001) of the ETH Zürich laboratory. This provides the so far most complete data set on methane spectra in this range at high resolution. In the present work we report in particular those results, where the partial rovibrational analysis allows for the direct assignment of pure (J = 0) vibrational levels including high excitation. These results substantially extend the accurate knowledge of vibrational band centers to higher energies and provide a benchmark for both the comparison with theoretical results on the one hand and atmospheric spectroscopy on the other hand. We also present a simple effective Hamiltonian analysis, which is discussed in terms of vibrational level assignments and 13C isotope effects.
Reed vibration in lingual organ pipes without the resonators
NASA Astrophysics Data System (ADS)
Miklós, András; Angster, Judit; Pitsch, Stephan; Rossing, Thomas D.
2003-02-01
Vibrations of plucked and blown reeds of lingual organ pipes without the resonators have been investigated. Three rather surprising phenomena are observed: the frequency of the reed plucked by hand is shifted upwards for large-amplitude plucking, the blown frequency is significantly higher than the plucked one, and peaks halfway between the harmonics of the fundamental frequency appear in the spectrum of the reed velocity. The dependence of the plucked frequency on the length of the reed reveals that the vibrating length at small vibrations is 3 mm shorter than the apparent free length. The frequency shift for large-amplitude plucking is explained by the periodic change of the vibrating length during the oscillation. Reed vibrations of the blown pipe can be described by a physical model based on the assumption of air flow between the reed and the shallot. Aerodynamic effects may generate and sustain the oscillation of the reed without acoustic feedback. The appearance of subharmonics is explained by taking into account the periodic modulation of the stress in the reed material by the sound field. Therefore, a parametric instability appears in the differential equation of vibration, leading to the appearance of subharmonics.
Numerical analysis of strongly nonlinear extensional vibrations in elastic rods.
Vanhille, Christian; Campos-Pozuelo, Cleofé
2007-01-01
In the framework of transduction, nondestructive testing, and nonlinear acoustic characterization, this article presents the analysis of strongly nonlinear vibrations by means of an original numerical algorithm. In acoustic and transducer applications in extreme working conditions, such as the ones induced by the generation of high-power ultrasound, the analysis of nonlinear ultrasonic vibrations is fundamental. Also, the excitation and analysis of nonlinear vibrations is an emergent technique in nonlinear characterization for damage detection. A third-order evolution equation is derived and numerically solved for extensional waves in isotropic dissipative media. A nine-constant theory of elasticity for isotropic solids is constructed, and the nonlinearity parameters corresponding to extensional waves are proposed. The nonlinear differential equation is solved by using a new numerical algorithm working in the time domain. The finite-difference numerical method proposed is implicit and only requires the solution of a linear set of equations at each time step. The model allows the analysis of strongly nonlinear, one-dimensional vibrations and can be used for prediction as well as characterization. Vibration waveforms are calculated at different points, and results are compared for different excitation levels and boundary conditions. Amplitude distributions along the rod axis for every harmonic component also are evaluated. Special attention is given to the study of high-amplitude damping of vibrations by means of several simulations. Simulations are performed for amplitudes ranging from linear to nonlinear and weak shock.
Vibration Isolation Technology (VIT) ATD Project
NASA Technical Reports Server (NTRS)
Lubomski, Joseph F.; Grodsinsky, Carlos M.; Logsdon, Kirk A.; Rohn, Douglas A.; Ramachandran, N.
1994-01-01
A fundamental advantage for performing material processing and fluid physics experiments in an orbital environment is the reduction in gravity driven phenomena. However, experience with manned spacecraft such as the Space Transportation System (STS) has demonstrated a dynamic acceleration environment far from being characterized as a 'microgravity' platform. Vibrations and transient disturbances from crew motions, thruster firings, rotating machinery etc. can have detrimental effects on many proposed microgravity science experiments. These same disturbances are also to be expected on the future space station. The Microgravity Science and Applications Division (MSAD) of the Office of Life and Microgravity Sciences and Applications (OLMSA), NASA Headquarters recognized the need for addressing this fundamental issue. As a result an Advanced Technology Development (ATD) project was initiated in the area of Vibration Isolation Technology (VIT) to develop methodologies for meeting future microgravity science needs. The objective of the Vibration Isolation Technology ATD project was to provide technology for the isolation of microgravity science experiments by developing methods to maintain a predictable, well defined, well characterized, and reproducible low-gravity environment, consistent with the needs of the microgravity science community. Included implicitly in this objective was the goal of advising the science community and hardware developers of the fundamental need to address the importance of maintaining, and how to maintain, a microgravity environment. This document will summarize the accomplishments of the VIT ATD which is now completed. There were three specific thrusts involved in the ATD effort. An analytical effort was performed at the Marshall Space Flight Center to define the sensitivity of selected experiments to residual and dynamic accelerations. This effort was redirected about half way through the ATD focusing specifically on the sensitivity of
The effects of vibration-reducing gloves on finger vibration.
Welcome, Daniel E; Dong, Ren G; Xu, Xueyan S; Warren, Christopher; McDowell, Thomas W
2014-01-01
Vibration-reducing (VR) gloves have been used to reduce the hand-transmitted vibration exposures from machines and powered hand tools but their effectiveness remains unclear, especially for finger protection. The objectives of this study are to determine whether VR gloves can attenuate the vibration transmitted to the fingers and to enhance the understanding of the mechanisms of how these gloves work. Seven adult male subjects participated in the experiment. The fixed factors evaluated include hand force (four levels), glove condition (gel-filled, air bladder, no gloves), and location of the finger vibration measurement. A 3-D laser vibrometer was used to measure the vibrations on the fingers with and without wearing a glove on a 3-D hand-arm vibration test system. This study finds that the effect of VR gloves on the finger vibration depends on not only the gloves but also their influence on the distribution of the finger contact stiffness and the grip effort. As a result, the gloves increase the vibration in the fingertip area but marginally reduce the vibration in the proximal area at some frequencies below 100 Hz. On average, the gloves reduce the vibration of the entire fingers by less than 3% at frequencies below 80 Hz but increase at frequencies from 80 to 400 Hz. At higher frequencies, the gel-filled glove is more effective at reducing the finger vibration than the air bladder-filled glove. The implications of these findings are discussed.
Interferometric examination of the vibration modes on stretchable plastic membrane imaging mirrors
NASA Astrophysics Data System (ADS)
Waddell, Peter; Stickland, Mathew; Mason, Steven; McKay, Stuart; Mair, Leslie S.
1996-12-01
The paper describes a simple interferometer which has been used to visualize the airborne noise induced, low frequency, very small amplitude, vibrations on thin plastic membrane mirrors. Plastic membrane concave imaging mirrors are the patented invention of the first named author and have been the subject of papers since 1983. The mirrors have already been used for inexpensive large aperture flow visualization systems and the transfer of images in holography. The mirrors are being used currently for high definition, natural color large aperture stereoscopy and self focused real imaging with no spectator glasses, i.e., 3D imaging systems. As the mirror diameter increases for the same type and thickness of membrane material then the fundamental resonant frequency decreases. For very large diameters the mirrors become susceptible to aerial noise of a few Hertz, this being equal to the fundamental resonant frequency. For the small mirror tested for this paper, the fundamental resonance was approximately 600 Hz. The mirror was, however, continually vibrating due to aerial room noise frequencies of between 1 Hz and 20 Hz. No proper nodal patterns can be seen, these only occur at frequencies above the fundamental. The vibrations are extremely small, requiring an interferometer to visualize and record amplitude and frequency. The vibration energy can be destroyed by several techniques. The mirrors have already been used for long exposure white light reflection holograms, effectively no vibrations at all on the mirror surface, achieved by destroying the vibration energy.
Astrophysical Probes of Fundamental Physics
NASA Astrophysics Data System (ADS)
Martins, C. J. A. P.
I review the theoretical motivation for varying fundamental couplings and discuss how these measurements can be used to constrain a number of fundamental physics scenarios that would otherwise be inacessible to experiment. As a case study I will focus on the relation between varying couplings and dark energy, and explain how varying coupling measurements can be used to probe the nature of dark energy, with important advantages over the standard methods. Assuming that the current observational evidence for varying α. and μ is correct, a several-sigma detection of dynamical dark energy is feasible within a few years, using currently operational ground-based facilities. With forthcoming instruments like CODEX, a high-accuracy reconstruction of the equation of state may be possible all the way up to redshift z ˜ 4.
Fundamental neutron physics at LANSCE
Greene, G.
1995-10-01
Modern neutron sources and science share a common origin in mid-20th-century scientific investigations concerned with the study of the fundamental interactions between elementary particles. Since the time of that common origin, neutron science and the study of elementary particles have evolved into quite disparate disciplines. The neutron became recognized as a powerful tool for studying condensed matter with modern neutron sources being primarily used (and justified) as tools for neutron scattering and materials science research. The study of elementary particles has, of course, led to the development of rather different tools and is now dominated by activities performed at extremely high energies. Notwithstanding this trend, the study of fundamental interactions using neutrons has continued and remains a vigorous activity at many contemporary neutron sources. This research, like neutron scattering research, has benefited enormously by the development of modern high-flux neutron facilities. Future sources, particularly high-power spallation sources, offer exciting possibilities for continuing this research.
DOE Fundamentals Handbook: Classical Physics
Not Available
1992-06-01
The Classical Physics Fundamentals Handbook was developed to assist nuclear facility operating contractors provide operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of physical forces and their properties. The handbook includes information on the units used to measure physical properties; vectors, and how they are used to show the net effect of various forces; Newton's Laws of motion, and how to use these laws in force and motion applications; and the concepts of energy, work, and power, and how to measure and calculate the energy involved in various applications. This information will provide personnel with a foundation for understanding the basic operation of various types of DOE nuclear facility systems and equipment.
Active vibration control of structures undergoing bending vibrations
NASA Technical Reports Server (NTRS)
Pla, Frederic G. (Inventor); Rajiyah, Harindra (Inventor)
1995-01-01
An active vibration control subassembly for a structure (such as a jet engine duct or a washing machine panel) undergoing bending vibrations caused by a source (such as the clothes agitator of the washing machine) independent of the subassembly. A piezoceramic actuator plate is vibratable by an applied electric AC signal. The plate is connected to the structure such that vibrations in the plate induced by the AC signal cause canceling bending vibrations in the structure and such that the plate is compressively pre-stressed along the structure when the structure is free of any bending vibrations. The compressive prestressing increases the amplitude of the canceling bending vibrations before the critical tensile stress level of the plate is reached. Preferably, a positive electric DC bias is also applied to the plate in its poling direction.
Microplasmas: from applications to fundamentals
NASA Astrophysics Data System (ADS)
Nguon, Olivier; Huang, Sisi; Gauthier, Mario; Karanassios, Vassili
2014-05-01
Microplasmas are receiving increasing attention in the scientific literature and in recent conferences. Yet, few analytical applications of microplasmas for elemental analysis using liquid samples have been described in the literature. To address this, we describe two applications: one involves the determination of Zn in microsamples of the metallo-enzyme Super Oxide Dismutase. The other involves determination of Pd-concentration in microsamples of Pd nanocatalysts. These applications demonstrate the potential of microplasmas and point to the need for future fundamental studies.
Active low-frequency vertical vibration isolation system for precision measurements
NASA Astrophysics Data System (ADS)
Wu, Kang; Li, Gang; Hu, Hua; Wang, Lijun
2017-01-01
Low-frequency vertical vibration isolation systems play important roles in precision measurements to reduce seismic and environmental vibration noise. Several types of active vibration isolation systems have been developed. However, few researches focus on how to optimize the test mass install position in order to improve the vibration transmissibility. An active low-frequency vertical vibration isolation system based on an earlier instrument, the Super Spring, is designed and implemented. The system, which is simple and compact, consists of two stages: a parallelogram-shaped linkage to ensure vertical motion, and a simple spring-mass system. The theoretical analysis of the vibration isolation system is presented, including terms erroneously ignored before. By carefully choosing the mechanical parameters according to the above analysis and using feedback control, the resonance frequency of the system is reduced from 2.3 to 0.03 Hz, a reduction by a factor of more than 75. The vibration isolation system is installed as an inertial reference in an absolute gravimeter, where it improved the scatter of the absolute gravity values by a factor of 5. The experimental results verifies the improved performance of the isolation system, making it particularly suitable for precision experiments. The improved vertical vibration isolation system can be used as a prototype for designing high-performance active vertical isolation systems. An improved theoretical model of this active vibration isolation system with beam-pivot configuration is proposed, providing fundamental guidelines for vibration isolator design and assembling.
The FP4026 Research Database on the fundamental period of RC infilled frame structures.
Asteris, Panagiotis G
2016-12-01
The fundamental period of vibration appears to be one of the most critical parameters for the seismic design of buildings because it strongly affects the destructive impact of the seismic forces. In this article, important research data (entitled FP4026 Research Database (Fundamental Period-4026 cases of infilled frames) based on a detailed and in-depth analytical research on the fundamental period of reinforced concrete structures is presented. In particular, the values of the fundamental period which have been analytically determined are presented, taking into account the majority of the involved parameters. This database can be extremely valuable for the development of new code proposals for the estimation of the fundamental period of reinforced concrete structures fully or partially infilled with masonry walls.
The effects of vibration-reducing gloves on finger vibration
Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.
2015-01-01
Vibration-reducing (VR) gloves have been used to reduce the hand-transmitted vibration exposures from machines and powered hand tools but their effectiveness remains unclear, especially for finger protection. The objectives of this study are to determine whether VR gloves can attenuate the vibration transmitted to the fingers and to enhance the understanding of the mechanisms of how these gloves work. Seven adult male subjects participated in the experiment. The fixed factors evaluated include hand force (four levels), glove condition (gel-filled, air bladder, no gloves), and location of the finger vibration measurement. A 3-D laser vibrometer was used to measure the vibrations on the fingers with and without wearing a glove on a 3-D hand-arm vibration test system. This study finds that the effect of VR gloves on the finger vibration depends on not only the gloves but also their influence on the distribution of the finger contact stiffness and the grip effort. As a result, the gloves increase the vibration in the fingertip area but marginally reduce the vibration in the proximal area at some frequencies below 100 Hz. On average, the gloves reduce the vibration of the entire fingers by less than 3% at frequencies below 80 Hz but increase at frequencies from 80 to 400 Hz. At higher frequencies, the gel-filled glove is more effective at reducing the finger vibration than the air bladder-filled glove. The implications of these findings are discussed. Relevance to industry Prolonged, intensive exposure to hand-transmitted vibration can cause hand-arm vibration syndrome. Vibration-reducing gloves have been used as an alternative approach to reduce the vibration exposure. However, their effectiveness for reducing finger-transmitted vibrations remains unclear. This study enhanced the understanding of the glove effects on finger vibration and provided useful information on the effectiveness of typical VR gloves at reducing the vibration transmitted to the fingers. The new
Vibration sensing method and apparatus
Barna, B.A.
1989-04-25
A method and apparatus for nondestructive evaluation of a structure are disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration. 4 figs.
Vibration sensing method and apparatus
Barna, B.A.
1987-07-07
A method and apparatus for nondestructive evaluation of a structure is disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration. 4 figs.
Vibration sensing method and apparatus
Barna, Basil A.
1989-04-25
A method and apparatus for nondestructive evaluation of a structure is disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration.
Adaptive sparse grid expansions of the vibrational Hamiltonian
Strobusch, D.; Scheurer, Ch.
2014-02-21
The vibrational Hamiltonian involves two high dimensional operators, the kinetic energy operator (KEO), and the potential energy surface (PES). Both must be approximated for systems involving more than a few atoms. Adaptive approximation schemes are not only superior to truncated Taylor or many-body expansions (MBE), they also allow for error estimates, and thus operators of predefined precision. To this end, modified sparse grids (SG) are developed that can be combined with adaptive MBEs. This MBE/SG hybrid approach yields a unified, fully adaptive representation of the KEO and the PES. Refinement criteria, based on the vibrational self-consistent field (VSCF) and vibrational configuration interaction (VCI) methods, are presented. The combination of the adaptive MBE/SG approach and the VSCF plus VCI methods yields a black box like procedure to compute accurate vibrational spectra. This is demonstrated on a test set of molecules, comprising water, formaldehyde, methanimine, and ethylene. The test set is first employed to prove convergence for semi-empirical PM3-PESs and subsequently to compute accurate vibrational spectra from CCSD(T)-PESs that agree well with experimental values.
Modal characteristics of in-plane vibration of circular plates clamped at the outer edge.
Farag, N H; Pan, J
2003-04-01
The equations of in-plane vibration in thin flat plates are solved for free vibration in circular plates clamped at the outer edge. The mode shapes are represented by trigonometric functions in the circumferential direction and by series summation of Bessel functions in the radial direction. Accuracy of the predictions of natural frequencies and mode shapes is assessed by comparisons with finite-element predictions and with previously reported results. The present solution gives very accurate predictions. The work also highlights the nature of coupling between the different circumferential and radial modes and the response of different vibrational modes at the center of the plate. It is shown that the center point of the plate vibrates only for modes with unity circumferential wave number (number of nodal diameters). Nondimensional frequency parameters are listed and the radial mode shapes of natural vibration are depicted to illustrate the free-vibration behavior in the frequency range of practical interest.
Molecular orbital predictions of the vibrational frequencies of some molecular ions
NASA Technical Reports Server (NTRS)
Defrees, D. J.; Mclean, A. D.
1985-01-01
The initial detections of IR vibration-rotation bands in polyatomic molecular ions by recent spectroscopic advances were guided by ab initio prediction of vibrational frequencies. The present calculations predict the vibrational frequencies of additional ions which are candidates for laboratory analysis. Neutral molecule vibrational frequencies were computed at three levels of theory and then compared with experimental data; the effect of scaling was also investigated, in order to determine how accurately vibrational frequencies could be predicted. For 92 percent of the frequencies examined, the relatively simple HF/6-31G theory's vibrational frequencies were within 100/cm of experimental values, with a mean absolute error of 49/cm. On this basis, the frequencies of 30 molecular ions (many possessing astrophysical significance) were computed.
Retrieval of Rayleigh Wave Ellipticity from Ambient Vibration Recordings
NASA Astrophysics Data System (ADS)
Maranò, Stefano; Hobiger, Manuel; Fäh, Donat
2017-01-01
The analysis of ambient vibrations is a useful tool in microzonation and geotechnical investigations. Ambient vibrations are composed to a large part of surface waves, both Love and Rayleigh waves. One reason to analyse surface waves is that they carry information about the subsurface. The dispersion curve of Rayleigh waves and Love waves can be retrieved using array processing techniques. The Rayleigh wave ellipticity, including the sense of rotation of the particle motion, can also be retrieved using array techniques. These quantities are used in an inversion procedure aimed at obtaining a structural model of the subsurface. The focus of this work is the retrieval of Rayleigh wave ellipticity. We show applications of the (ML) method presented in Maranó et al. (2012) to a number of sites in Switzerland. The sites examined are chosen to reflect a wide range of soil conditions that are of interest in microzonation studies. Using a synthetic wavefield with known structural model, we compare our results with theoretical ellipticity curves and we show the accuracy of the considered algorithm. The sense of rotation of the particle motion (prograde vs. retrograde) is also estimated. In addition, we show that by modelling the presence of both Love and Rayleigh waves it is possible to mitigate the disruptive influence of Love waves on the estimation of Rayleigh wave ellipticity. Using recordings from several real sites, we show that it is possible to retrieve the ellipticity curve over a broad range of frequencies. Fundamental modes and higher modes are retrieved. Singularities of the ellipticity, corresponding to a change of the sense of rotation from prograde to retrograde (or vice versa), are detected with great accuracy. Knowledge of Rayleigh wave ellipticity, including the sense of rotation, is useful in several ways. The ellipticity angle allows us to pinpoint accurately the frequency of singularities (i.e., peaks and zeros of the H/V representation of the
Animal Communications Through Seismic Vibrations
Hill, Peggy
2001-05-02
Substrate vibration has been important to animals as a channel of communication for millions of years, but our literature on vibration in this context of biologically relevant information is only decades old. The jaw mechanism of the earliest land vertebrates allowed them to perceive substrate vibrations as their heads lay on the ground long before airborne sounds could be heard. Although the exact mechanism of vibration production and the precise nature of the wave produced are not always understood, recent development of affordable instrumentation to detect and measure vibrations has allowed researchers to answer increasingly sophisticated questions about how animals send and receive vibration signals. We now know that vibration provides information used in predator defense, prey detection, recruitment to food, mate choice, intrasexual competition, and maternal/brood social interactions in a variety of insect orders, spiders, crabs, scorpions, chameleons, frogs, golden moles, mole rats, kangaroos rats, wallabies, elephants and bison.
Accurate ab Initio Spin Densities.
Boguslawski, Katharina; Marti, Konrad H; Legeza, Ors; Reiher, Markus
2012-06-12
We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740].
Shen, Shixin (Cindy); House, Ronald A.
2017-01-01
Résumé Objectif Permettre aux médecins de famille de comprendre l’épidémiologie, la pathogenèse, les symptômes, le diagnostic et la prise en charge de la maladie des vibrations, une maladie professionnelle importante et courante au Canada. Sources d’information Une recherche a été effectuée sur MEDLINE afin de relever les recherches et comptes rendus portant sur la maladie des vibrations. Une recherche a été effectuée sur Google dans le but d’obtenir la littérature grise qui convient au contexte canadien. D’autres références ont été tirées des articles relevés. Message principal La maladie des vibrations est une maladie professionnelle répandue touchant les travailleurs de diverses industries qui utilisent des outils vibrants. La maladie est cependant sous-diagnostiquée au Canada. Elle compte 3 éléments : vasculaire, sous la forme d’un phénomène de Raynaud secondaire; neurosensoriel; et musculosquelettique. Aux stades les plus avancés, la maladie des vibrations entraîne une invalidité importante et une piètre qualité de vie. Son diagnostic exige une anamnèse minutieuse, en particulier des antécédents professionnels, un examen physique, des analyses de laboratoire afin d’éliminer les autres diagnostics, et la recommandation en médecine du travail aux fins d’investigations plus poussées. La prise en charge consiste à réduire l’exposition aux vibrations, éviter les températures froides, abandonner le tabac et administrer des médicaments. Conclusion Pour assurer un diagnostic rapide de la maladie des vibrations et améliorer le pronostic et la qualité de vie, les médecins de famille devraient connaître cette maladie professionnelle courante, et pouvoir obtenir les détails pertinents durant l’anamnèse, recommander les patients aux cliniques de médecine du travail et débuter les demandes d’indemnisation de manière appropriée. PMID:28292812
Vibrational energy transfer dynamics in ruthenium polypyridine transition metal complexes.
Fedoseeva, Marina; Delor, Milan; Parker, Simon C; Sazanovich, Igor V; Towrie, Michael; Parker, Anthony W; Weinstein, Julia A
2015-01-21
Understanding the dynamics of the initial stages of vibrational energy transfer in transition metal complexes is a challenging fundamental question which is also of crucial importance for many applications, such as improving the performance of solar devices or photocatalysis. The present study investigates vibrational energy transport in the ground and the electronic excited state of Ru(4,4'-(COOEt)2-2,2-bpy)2(NCS)2, a close relative of the efficient "N3" dye used in dye-sensitized solar cells. Using the emerging technique of ultrafast two-dimensional infrared spectroscopy, we show that, similarly to other transition-metal complexes, the central Ru heavy atom acts as a "bottleneck" making the energy transfer from small ligands with high energy vibrational stretching frequencies less favorable and thereby affecting the efficiency of vibrational energy flow in the complex. Comparison of the vibrational relaxation times in the electronic ground and excited state of Ru(4,4'-(COOEt)2-2,2-bpy)2(NCS)2 shows that it is dramatically faster in the latter. We propose to explain this observation by the intramolecular electrostatic interactions between the thiocyanate group and partially oxidised Ru metal center, which increase the degree of vibrational coupling between CN and Ru-N modes in the excited state thus reducing structural and thermodynamic barriers that slow down vibrational relaxation and energy transport in the electronic ground state. As a very similar behavior was earlier observed in another transition-metal complex, Re(4,4'-(COOEt)2-2,2'-bpy)(CO)3Cl, we suggest that this effect in vibrational energy dynamics might be common for transition-metal complexes with heavy central atoms.
Fluid flow measurements by means of vibration monitoring
NASA Astrophysics Data System (ADS)
Campagna, Mauro M.; Dinardo, Giuseppe; Fabbiano, Laura; Vacca, Gaetano
2015-11-01
The achievement of accurate fluid flow measurements is fundamental whenever the control and the monitoring of certain physical quantities governing an industrial process are required. In that case, non-intrusive devices are preferable, but these are often more sophisticated and expensive than those which are more common (such as nozzles, diaphrams, Coriolis flowmeters and so on). In this paper, a novel, non-intrusive, simple and inexpensive methodology is presented to measure the fluid flow rate (in a turbulent regime) whose physical principle is based on the acquisition of transversal vibrational signals induced by the fluid itself onto the pipe walls it is flowing through. Such a principle of operation would permit the use of micro-accelerometers capable of acquiring and transmitting the signals, even by means of wireless technology, to a control room for the monitoring of the process under control. A possible application (whose feasibility will be investigated by the authors in a further study) of this introduced technology is related to the employment of a net of micro-accelerometers to be installed on pipeline networks of aqueducts. This apparatus could lead to the faster and easier detection and location of possible leaks of fluid affecting the pipeline network with more affordable costs. The authors, who have previously proven the linear dependency of the acceleration harmonics amplitude on the flow rate, here discuss an experimental analysis of this functional relation with the variation in the physical properties of the pipe in terms of its diameter and constituent material, to find the eventual limits to the practical application of the measurement methodology.
Vibration monitoring via nano-composite piezoelectric foam bushings
NASA Astrophysics Data System (ADS)
Bird, Evan T.; Merrell, A. Jake; Anderson, Brady K.; Newton, Cory N.; Rosquist, Parker G.; Fullwood, David T.; Bowden, Anton E.; Seeley, Matthew K.
2016-11-01
Most mechanical systems produce vibrations as an inherent side effect of operation. Though some vibrations are acceptable in operation, others can cause damage or signal a machine’s imminent failure. These vibrations would optimally be monitored in real-time, without human supervision to prevent failure and excessive wear in machinery. This paper explores a new alternative to currently-used machine-monitoring equipment, namely a piezoelectric foam sensor system. These sensors are made of a silicone-based foam embedded with nano- and micro-scale conductive particles. Upon impact, they emit an electric response that is directly correlated with impact energy, with no electrical power input. In the present work, we investigated their utility as self-sensing bushings on machinery. These sensors were found to accurately detect both the amplitude and frequency of typical machine vibrations. The bushings could potentially save time and money over other vibration sensing mechanisms, while simultaneously providing a potential control input that could be utilized for correcting vibrational imbalance.
Blasting vibrations control: The shortcomings of traditional methods
Vuillaume, P.M.; Kiszlo, M.; Bernard, T.
1996-12-31
In the context of its studies for the French ministry of the environment and for the French national coal board, INERIS (the French institute for the industrial environment and hazards, formerly CERCHAR) has made a complete critical survey of the methods generally used to reduce the levels of blasting vibrations. It is generally acknowledged that the main parameter to control vibrations is the so-called instantaneous charge, or charge per delay. This should be reduced as much as possible in order to diminish vibration levels. On account of this, the use of a new generation of blasting devices, such as non-electric detonators or electronic sequential timers has been developed since the seventies. INERIS has collected data from about 900 blasts in 2 quarries and 3 open pit mines. These data include input parameters such as borehole diameter, burden, spacing, charge per hole, charge per delay, total fired charge, etc ... They also include output measurements, such as vibration peak particle velocities, and main frequencies. These data have been analyzed with the help of multi variable statistical tools. Blasting tests were undertaken to evaluate new methods of vibrations control, such as the superposition of vibration signals. These methods appear to be accurate in many critical cases, but certainly would be highly improved with a better accuracy of firing delays. The development of electronic detonators seems to be the way of the future for a better blasting control.
Principal Components Analysis of Triaxial Vibration Data From Helicopter Transmissions
NASA Technical Reports Server (NTRS)
Tumer, Irem Y.; Huff, Edward M.
2001-01-01
Research on the nature of the vibration data collected from helicopter transmissions during flight experiments has led to several crucial observations believed to be responsible for the high rates of false alarms and missed detections in aircraft vibration monitoring systems. This work focuses on one such finding, namely, the need to consider additional sources of information about system vibrations. In this light, helicopter transmission vibration data, collected using triaxial accelerometers, were explored in three different directions, analyzed for content, and then combined using Principal Components Analysis (PCA) to analyze changes in directionality. In this paper, the PCA transformation is applied to 176 test conditions/data sets collected from an OH58C helicopter to derive the overall experiment-wide covariance matrix and its principal eigenvectors. The experiment-wide eigenvectors. are then projected onto the individual test conditions to evaluate changes and similarities in their directionality based on the various experimental factors. The paper will present the foundations of the proposed approach, addressing the question of whether experiment-wide eigenvectors accurately model the vibration modes in individual test conditions. The results will further determine the value of using directionality and triaxial accelerometers for vibration monitoring and anomaly detection.
Harmonic motion detection in a vibrating scattering medium.
Urban, Matthew W; Chen, Shigao; Greenleaf, James
2008-09-01
Elasticity imaging is an emerging medical imaging modality that seeks to map the spatial distribution of tissue stiffness. Ultrasound radiation force excitation and motion tracking using pulse-echo ultrasound have been used in numerous methods. Dynamic radiation force is used in vibrometry to cause an object or tissue to vibrate, and the vibration amplitude and phase can be measured with exceptional accuracy. This paper presents a model that simulates harmonic motion detection in a vibrating scattering medium incorporating 3-D beam shapes for radiation force excitation and motion tracking. A parameterized analysis using this model provides a platform to optimize motion detection for vibrometry applications in tissue. An experimental method that produces a multifrequency radiation force is also presented. Experimental harmonic motion detection of simultaneous multifrequency vibration is demonstrated using a single transducer. This method can accurately detect motion with displacement amplitude as low as 100 to 200 nm in bovine muscle. Vibration phase can be measured within 10 degrees or less. The experimental results validate the conclusions observed from the model and show multifrequency vibration induction and measurements can be performed simultaneously.
Harmonic Motion Detection in a Vibrating Scattering Medium
Urban, Matthew W.; Chen, Shigao; Greenleaf, James F.
2008-01-01
Elasticity imaging is an emerging medical imaging modality that seeks to map the spatial distribution of tissue stiffness. Ultrasound radiation force excitation and motion tracking using pulse-echo ultrasound have been used in numerous methods. Dynamic radiation force is used in vibrometry to cause an object or tissue to vibrate, and the vibration amplitude and phase can be measured with exceptional accuracy. This paper presents a model that simulates harmonic motion detection in a vibrating scattering medium incorporating 3-D beam shapes for radiation force excitation and motion tracking. A parameterized analysis using this model provides a platform to optimize motion detection for vibrometry applications in tissue. An experimental method that produces a multifrequency radiation force is also presented. Experimental harmonic motion detection of simultaneous multifrequency vibration is demonstrated using a single transducer. This method can accurately detect motion with displacement amplitude as low as 100 to 200 nm in bovine muscle. Vibration phase can be measured within 10° or less. The experimental results validate the conclusions observed from the model and show multifrequency vibration induction and measurements can be performed simultaneously. PMID:18986892
Fundamental Limits to Cellular Sensing
NASA Astrophysics Data System (ADS)
ten Wolde, Pieter Rein; Becker, Nils B.; Ouldridge, Thomas E.; Mugler, Andrew
2016-03-01
In recent years experiments have demonstrated that living cells can measure low chemical concentrations with high precision, and much progress has been made in understanding what sets the fundamental limit to the precision of chemical sensing. Chemical concentration measurements start with the binding of ligand molecules to receptor proteins, which is an inherently noisy process, especially at low concentrations. The signaling networks that transmit the information on the ligand concentration from the receptors into the cell have to filter this receptor input noise as much as possible. These networks, however, are also intrinsically stochastic in nature, which means that they will also add noise to the transmitted signal. In this review, we will first discuss how the diffusive transport and binding of ligand to the receptor sets the receptor correlation time, which is the timescale over which fluctuations in the state of the receptor, arising from the stochastic receptor-ligand binding, decay. We then describe how downstream signaling pathways integrate these receptor-state fluctuations, and how the number of receptors, the receptor correlation time, and the effective integration time set by the downstream network, together impose a fundamental limit on the precision of sensing. We then discuss how cells can remove the receptor input noise while simultaneously suppressing the intrinsic noise in the signaling network. We describe why this mechanism of time integration requires three classes (groups) of resources—receptors and their integration time, readout molecules, energy—and how each resource class sets a fundamental sensing limit. We also briefly discuss the scheme of maximum-likelihood estimation, the role of receptor cooperativity, and how cellular copy protocols differ from canonical copy protocols typically considered in the computational literature, explaining why cellular sensing systems can never reach the Landauer limit on the optimal trade
Molecular vibrational energy flow
NASA Astrophysics Data System (ADS)
Gruebele, M.; Bigwood, R.
This article reviews some recent work in molecular vibrational energy flow (IVR), with emphasis on our own computational and experimental studies. We consider the problem in various representations, and use these to develop a family of simple models which combine specific molecular properties (e.g. size, vibrational frequencies) with statistical properties of the potential energy surface and wavefunctions. This marriage of molecular detail and statistical simplification captures trends of IVR mechanisms and survival probabilities beyond the abilities of purely statistical models or the computational limitations of full ab initio approaches. Of particular interest is IVR in the intermediate time regime, where heavy-atom skeletal modes take over the IVR process from hydrogenic motions even upon X H bond excitation. Experiments and calculations on prototype heavy-atom systems show that intermediate time IVR differs in many aspects from the early stages of hydrogenic mode IVR. As a result, IVR can be coherently frozen, with potential applications to selective chemistry.
Calculating vibrational spectra of molecules using tensor train decomposition
NASA Astrophysics Data System (ADS)
Rakhuba, Maxim; Oseledets, Ivan
2016-09-01
We propose a new algorithm for calculation of vibrational spectra of molecules using tensor train decomposition. Under the assumption that eigenfunctions lie on a low-parametric manifold of low-rank tensors we suggest using well-known iterative methods that utilize matrix inversion (locally optimal block preconditioned conjugate gradient method, inverse iteration) and solve corresponding linear systems inexactly along this manifold. As an application, we accurately compute vibrational spectra (84 states) of acetonitrile molecule CH3CN on a laptop in one hour using only 100 MB of memory to represent all computed eigenfunctions.
Simulation of nonlinear random vibrations using artificial neural networks
Paez, T.L.; Tucker, S.; O`Gorman, C.
1997-02-01
The simulation of mechanical system random vibrations is important in structural dynamics, but it is particularly difficult when the system under consideration is nonlinear. Artificial neural networks provide a useful tool for the modeling of nonlinear systems, however, such modeling may be inefficient or insufficiently accurate when the system under consideration is complex. This paper shows that there are several transformations that can be used to uncouple and simplify the components of motion of a complex nonlinear system, thereby making its modeling and random vibration simulation, via component modeling with artificial neural networks, a much simpler problem. A numerical example is presented.
Thermodynamics fundamentals of energy conversion
NASA Astrophysics Data System (ADS)
Dan, Nicolae
The work reported in the chapters 1-5 focuses on the fundamentals of heat transfer, fluid dynamics, thermodynamics and electrical phenomena related to the conversion of one form of energy to another. Chapter 6 is a re-examination of the fundamental heat transfer problem of how to connect a finite-size heat generating volume to a concentrated sink. Chapter 1 extends to electrical machines the combined thermodynamics and heat transfer optimization approach that has been developed for heat engines. The conversion efficiency at maximum power is 1/2. When, as in specific applications, the operating temperature of windings must not exceed a specified level, the power output is lower and efficiency higher. Chapter 2 addresses the fundamental problem of determining the optimal history (regime of operation) of a battery so that the work output is maximum. Chapters 3 and 4 report the energy conversion aspects of an expanding mixture of hot particles, steam and liquid water. At the elemental level, steam annuli develop around the spherical drops as time increases. At the mixture level, the density decreases while the pressure and velocity increases. Chapter 4 describes numerically, based on the finite element method, the time evolution of the expanding mixture of hot spherical particles, steam and water. The fluid particles are moved in time in a Lagrangian manner to simulate the change of the domain configuration. Chapter 5 describes the process of thermal interaction between the molten material and water. In the second part of the chapter the model accounts for the irreversibility due to the flow of the mixture through the cracks of the mixing vessel. The approach presented in this chapter is based on exergy analysis and represents a departure from the line of inquiry that was followed in chapters 3-4. Chapter 6 shows that the geometry of the heat flow path between a volume and one point can be optimized in two fundamentally different ways. In the "growth" method the
Short-range Fundamental forces
Antoniadis, I; Baessler, Stefan; Buechner, M; Fedorov, General Victor; Hoedl, S.; Lambrecht, A; Nesvizhevsky, V.; Pignol, G; Reynaud, S.; Sobolev, Yu.
2011-01-01
We consider theoretical motivations to search for extra short-range fundamental forces as well as experiments constraining their parameters. The forces could be of two types: (1) spin-independent forces; and (2) spin-dependent axion-like forces. Different experimental techniques are sensitive in respective ranges of characteristic distances. The techniques include measurements of gravity at short distances, searches for extra interactions on top of the Casimir force, precision atomic and neutron experiments. We focus on neutron constraints, thus the range of characteristic distances considered here corresponds to the range accessible for neutron experiments.
Fundamental Characteristics of Breather Hydrodynamics
NASA Astrophysics Data System (ADS)
Chabchoub, Amin
2014-05-01
The formation of oceanic rogue waves can be explained by the modulation instability of deep-water Stokes waves. In particular, being doubly-localized and amplifying the background wave amplitude by a factor of three or higher, the class of Peregrine-type breather solutions of the nonlinear Schrödinger equation (NLS) are considered to be appropriate models to describe extreme ocean wave dynamics. Here, we present an experimental validation of fundamental properties of the NLS within the context of Peregrine breather dynamics and we discuss the long-term behavior of such in time and space localized structures.
Reconstruction of fundamental SUSY parameters
P. M. Zerwas et al.
2003-09-25
We summarize methods and expected accuracies in determining the basic low-energy SUSY parameters from experiments at future e{sup +}e{sup -} linear colliders in the TeV energy range, combined with results from LHC. In a second step we demonstrate how, based on this set of parameters, the fundamental supersymmetric theory can be reconstructed at high scales near the grand unification or Planck scale. These analyses have been carried out for minimal supergravity [confronted with GMSB for comparison], and for a string effective theory.
Solid Lubrication Fundamentals and Applications
NASA Technical Reports Server (NTRS)
Miyoshi, Kazuhisa
2001-01-01
Solid Lubrication Fundamentals and Applications description of the adhesion, friction, abrasion, and wear behavior of solid film lubricants and related tribological materials, including diamond and diamond-like solid films. The book details the properties of solid surfaces, clean surfaces, and contaminated surfaces as well as discussing the structures and mechanical properties of natural and synthetic diamonds; chemical-vapor-deposited diamond film; surface design and engineering toward wear-resistant, self-lubricating diamond films and coatings. The author provides selection and design criteria as well as applications for synthetic and natural coatings in the commercial, industrial and aerospace industries..
NASA Technical Reports Server (NTRS)
Bowman, L. M.
1986-01-01
Dynamic behaviors of structures analyzed interactively. Interactive steadystate vibration-response program, VIBRA, developed. Frequency-response analyses commonly used in evaluating dynamic behaviors of structures subjected to cyclic external forces. VIBRA calculates frequency response using modalsuperposition approach. Method applicable to single or multiple forces applied to linear, proportionally damped structure in which damping is viscous or structural. VIBRA written in FORTRAN 77 for interactive execution.
Vibration isolation mounting system
NASA Technical Reports Server (NTRS)
Carter, Sam D. (Inventor); Bastin, Paul H. (Inventor)
1995-01-01
A system is disclosed for mounting a vibration producing device onto a spacecraft structure and also for isolating the vibration forces thereof from the structure. The system includes a mount on which the device is securely mounted and inner and outer rings. The rings and mount are concentrically positioned. The system includes a base (secured to the structure) and a set of links which are interconnected by a set of torsion bars which allow and resist relative rotational movement therebetween. The set of links are also rotatably connected to a set of brackets which are rigidly connected to the outer ring. Damped leaf springs interconnect the inner and outer rings and the mount allow relative translational movement therebetween in X and Y directions. The links, brackets and base are interconnected and configured so that they allow and resist translational movement of the device in the Z direction so that in combination with the springs they provide absorption of vibrational energy produced by the device in all three dimensions while providing rotational stiffness about all three axes to prevent undesired rotational motions.
Vibrational stability of graphene
NASA Astrophysics Data System (ADS)
Hu, Yangfan; Wang, Biao
2013-05-01
The mechanical stability of graphene as temperature rises is analyzed based on three different self-consistent phonon (SCP) models. Compared with three-dimensional (3-D) materials, the critical temperature Ti at which instability occurs for graphene is much closer to its melting temperature Tm obtained from Monte Carlo simulation (Ti ≃ 2Tm, K. V. Zakharchenko, A. Fasolino, J. H. Los, and M. I. Katsnelson, J. Phys. Condens. Matter 23, 202202). This suggests that thermal vibration plays a significant role in melting of graphene while melting for 3-D materials is often dominated by topologic defects. This peculiar property of graphene derives from its high structural anisotropy, which is characterized by the vibrational anisotropic coefficient (VAC), defined upon its Lindermann ratios in different directions. For any carbon based material with a graphene-like structure, the VAC value must be smaller than 5.4 to maintain its stability. It is also found that the high VAC value of graphene is responsible for its negative thermal expansion coefficient at low temperature range. We believe that the VAC can be regarded as a new criterion concerning the vibrational stability of any low-dimensional (low-D) materials.
Vibration Induced Microfluidic Atomization
NASA Astrophysics Data System (ADS)
Yeo, Leslie; Qi, Aisha; Friend, James
2008-11-01
We demonstrate rapid generation of micron aerosol droplets in a microfluidic device in which a fluid drop is exposed to surface vibration as it sits atop a piezoelectric substrate. Little, however, is understood about the processes by which these droplets form due to the complex hydrodynamic processes that occur across widely varying length and time scales. Through experiments, scaling theory and numerical modelling, we elucidate the interfacial destabilization mechanisms that lead to droplet formation. Droplets form due to the axisymmetric break-up of cylindrical liquid jets ejected as a consequence of interfacial destabilization. Their 10 μm size correlates with the jet radius and the instability wavelength, both determined from a viscous-capillary dominant force balance and confirmed through a numerical solution. With the exception of drops that spread into thin films with thicknesses on the order of the boundary layer dimension, the free surface is always observed to vibrate at the capillary-viscous resonance frequency despite the surface vibration frequency being several orders larger. This is contrary to common assumptions used in deriving subharmonic models resulting in a Mathieu equation, which has commonly led to spurious predictions in the droplet size.
Differential equation based method for accurate approximations in optimization
NASA Technical Reports Server (NTRS)
Pritchard, Jocelyn I.; Adelman, Howard M.
1990-01-01
This paper describes a method to efficiently and accurately approximate the effect of design changes on structural response. The key to this new method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in msot cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacement are used to approximate bending stresses.
Accurate thermoelastic tensor and acoustic velocities of NaCl
NASA Astrophysics Data System (ADS)
Marcondes, Michel L.; Shukla, Gaurav; da Silveira, Pedro; Wentzcovitch, Renata M.
2015-12-01
Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.
Accurate thermoelastic tensor and acoustic velocities of NaCl
Marcondes, Michel L.; Shukla, Gaurav; Silveira, Pedro da; Wentzcovitch, Renata M.
2015-12-15
Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.
Vibration characteristics of a piezoelectric open-shell transducer
NASA Astrophysics Data System (ADS)
Kim, Daeseung; Kim, Jin O.; Il Jung, Soon
2012-04-01
This paper deals with the vibration characteristics of a piezoelectric open-shell transducer which was made by dividing a cylindrical piezoelectric transducer longitudinally into two segments. Two-dimensional governing equations were derived by using the cylindrical membrane theory. Applying mechanical and electrical boundary conditions yielded a characteristic equation for the resonance frequencies of the piezoelectric open-shell transducer. The fundamental frequency and the electromechanical coupling factor were calculated and compared with the results of the finite element analysis and experiment. The fundamental mode shape obtained theoretically was compared with the result of the finite element analysis. The theoretical analysis was verified to provide the vibration characteristics of an open-shell transducer.
Conformational analysis and vibrational spectroscopic studies on dapsone
NASA Astrophysics Data System (ADS)
Ildiz, Gulce Ogruc; Akyuz, Sevim
2012-11-01
In this study, the theoretical conformation analysis of free dapsone has been performed by single point energy calculations at both semi-empirical PM3 and DFT/B3LYP-3-21G theory levels and three stable conformers were determined. Both the IR and Raman spectra of the molecule in solid phase have been recorded. The IR intensities and harmonic vibrational wavenumbers of each conformer were calculated by DFT method at B3LYP/6-31++G(d,p) theory level. For the fundamental characterization, the total energy distribution (TED) calculations of the vibrational modes were done using parallel quantum mechanic solution program (SQM) and the fundamental modes were assigned. The theoretical results are in agreement with the experimental ones.
An ab initio HCN/HNC rotational-vibrational line list and opacity function for astronomy
NASA Astrophysics Data System (ADS)
Harris, Gregory John
HCN/HNC is an important molecule which is found throughout the universe. For example HCN/HNC is known to exist in comets, planetary atmospheres and the interstellar medium. HCN is also an important opacity source in carbon rich stars (C-stars). HCN masers have been observed in the circumstellar material around these C-stars and also in galaxies. Jorgensen and co-workers investigated model carbon star atmospheres in which they included HCN as an opacity source. They found that including a HCN opacity function had a remarkable effect: the atmosphere expanded by five times and the pressure of the atmosphere in the surface layers dropped by one or two orders of magnitude. This suggests that a full and detailed treatment of the rotational-vibrational spectrum of HCN/HNC could have a profound effect on the models of carbon stars, this provides the main motivation in this work. The temperatures of the stars in which HCN is an important opacity source Teff = 2000 - 3000 K. If HCN and HNC are in thermodynamic equilibrium it would be expected that HNC as well as HCN are found in significant populations. The transition dipoles of the fundamental bands of HNC are more than twice as strong as their HCN counter parts. These factors mean that both HCN and HNC will be considered, which makes a semiglobal treatment of the [H,C,N] system necessary. In this thesis an ab initio HCN/HNC linelist, from which accurate spectra and opacity functions can be calculated, is computed. Within this thesis I present least squares fits for ab initio semiglobal potential energy, dipole moment, relativistic correction and adiabatic correction surfaces. The potential energy surface (PES) is morphed for HNC geometries of the potential to improve the HNC representation of the surface. The PES and dipole moment surface (DMS) are used to perform quantum mechanical nuclear motion (rotational-vibrational) calculations with the DVR3D suite of codes. Preliminary calculations are made to optimise a ro-vibrational
Field Theory of Fundamental Interactions
NASA Astrophysics Data System (ADS)
Wang, Shouhong; Ma, Tian
2017-01-01
First, we present two basic principles, the principle of interaction dynamics (PID) and the principle of representation invariance (PRI). Intuitively, PID takes the variation of the action under energy-momentum conservation constraint. We show that the PID is the requirement of the presence of dark matter and dark energy, the Higgs field and the quark confinement. PRI requires that the SU(N) gauge theory be independent of representations of SU(N). It is clear that PRI is the logic requirement of any gauge theory. With PRI, we demonstrate that the coupling constants for the strong and the weak interactions are the main sources of these two interactions, reminiscent of the electric charge. Second, we emphasize that symmetry principles-the principle of general relativity and the principle of Lorentz invariance and gauge invariance-together with the simplicity of laws of nature, dictate the actions for the four fundamental interactions. Finally, we show that the PID and the PRI, together with the symmetry principles give rise to a unified field model for the fundamental interactions, which is consistent with current experimental observations and offers some new physical predictions. The research is supported in part by the National Science Foundation (NSF) grant DMS-1515024, and by the Office of Naval Research (ONR) grant N00014-15-1-2662.
Clarifying types of uncertainty: when are models accurate, and uncertainties small?
Cox, Louis Anthony Tony
2011-10-01
Professor Aven has recently noted the importance of clarifying the meaning of terms such as "scientific uncertainty" for use in risk management and policy decisions, such as when to trigger application of the precautionary principle. This comment examines some fundamental conceptual challenges for efforts to define "accurate" models and "small" input uncertainties by showing that increasing uncertainty in model inputs may reduce uncertainty in model outputs; that even correct models with "small" input uncertainties need not yield accurate or useful predictions for quantities of interest in risk management (such as the duration of an epidemic); and that accurate predictive models need not be accurate causal models.
The fundamental definition of ``radial velocity''
NASA Astrophysics Data System (ADS)
Lindegren, Lennart; Dravins, Dainis
2003-04-01
Accuracy levels of metres per second require the fundamental concept of ``radial velocity'' for stars and other distant objects to be examined, both as a physical velocity, and as measured by spectroscopic and astrometric techniques. Already in a classical (non-relativistic) framework the line-of-sight velocity component is an ambiguous concept, depending on whether, e.g., the time of light emission (at the object) or that of light detection (by the observer) is used for recording the time coordinate. Relativistic velocity effects and spectroscopic measurements made inside gravitational fields add further complications, causing wavelength shifts to depend, e.g., on the transverse velocity of the object and the gravitational potential at the source. Aiming at definitions that are unambiguous at accuracy levels of 1 m s-1, we analyse different concepts of radial velocity and their interrelations. At this accuracy level, a strict separation must be made between the purely geometric concepts on one hand, and the spectroscopic measurement on the other. Among the geometric concepts we define kinematic radial velocity, which corresponds most closely to the ``textbook definition'' of radial velocity as the line-of-sight component of space velocity; and astrometric radial velocity, which can be derived from astrometric observations. Consistent with these definitions, we propose strict definitions also of the complementary kinematic and astrometric quantities, namely transverse velocity and proper motion. The kinematic and astrometric radial velocities depend on the chosen spacetime metric, and are accurately related by simple coordinate transformations. On the other hand, the observational quantity that should result from accurate spectroscopic measurements is the barycentric radial-velocity measure. This is independent of the metric, and to first order equals the line-of-sight velocity. However, it is not a physical velocity, and cannot be accurately transformed to a
Accurate calculations of bound rovibrational states for argon trimer
Brandon, Drew; Poirier, Bill
2014-07-21
This work presents a comprehensive quantum dynamics calculation of the bound rovibrational eigenstates of argon trimer (Ar{sub 3}), using the ScalIT suite of parallel codes. The Ar{sub 3} rovibrational energy levels are computed to a very high level of accuracy (10{sup −3} cm{sup −1} or better), and up to the highest rotational and vibrational excitations for which bound states exist. For many of these rovibrational states, wavefunctions are also computed. Rare gas clusters such as Ar{sub 3} are interesting because the interatomic interactions manifest through long-range van der Waals forces, rather than through covalent chemical bonding. As a consequence, they exhibit strong Coriolis coupling between the rotational and vibrational degrees of freedom, as well as highly delocalized states, all of which renders accurate quantum dynamical calculation difficult. Moreover, with its (comparatively) deep potential well and heavy masses, Ar{sub 3} is an especially challenging rare gas trimer case. There are a great many rovibrational eigenstates to compute, and a very high density of states. Consequently, very few previous rovibrational state calculations for Ar{sub 3} may be found in the current literature—and only for the lowest-lying rotational excitations.
Accurate calculations of bound rovibrational states for argon trimer
NASA Astrophysics Data System (ADS)
Brandon, Drew; Poirier, Bill
2014-07-01
This work presents a comprehensive quantum dynamics calculation of the bound rovibrational eigenstates of argon trimer (Ar3), using the ScalIT suite of parallel codes. The Ar3 rovibrational energy levels are computed to a very high level of accuracy (10-3 cm-1 or better), and up to the highest rotational and vibrational excitations for which bound states exist. For many of these rovibrational states, wavefunctions are also computed. Rare gas clusters such as Ar3 are interesting because the interatomic interactions manifest through long-range van der Waals forces, rather than through covalent chemical bonding. As a consequence, they exhibit strong Coriolis coupling between the rotational and vibrational degrees of freedom, as well as highly delocalized states, all of which renders accurate quantum dynamical calculation difficult. Moreover, with its (comparatively) deep potential well and heavy masses, Ar3 is an especially challenging rare gas trimer case. There are a great many rovibrational eigenstates to compute, and a very high density of states. Consequently, very few previous rovibrational state calculations for Ar3 may be found in the current literature—and only for the lowest-lying rotational excitations.
NASA Technical Reports Server (NTRS)
Schwenke, David W.
1992-01-01
The optimization of the wave functions is considered for coupled vibrations represented by linear combinations of products of functions depending only on a single vibrational coordinate. The functions themselves are optimized as well as configuration list. For the H2O molecule highly accurate results are obtained for the lowest 15 levels using significantly shorter expansions than would otherwise be possible.
Accurate bond dissociation energies (D 0) for FHF- isotopologues
NASA Astrophysics Data System (ADS)
Stein, Christopher; Oswald, Rainer; Sebald, Peter; Botschwina, Peter; Stoll, Hermann; Peterson, Kirk A.
2013-09-01
Accurate bond dissociation energies (D 0) are determined for three isotopologues of the bifluoride ion (FHF-). While the zero-point vibrational contributions are taken from our previous work (P. Sebald, A. Bargholz, R. Oswald, C. Stein, P. Botschwina, J. Phys. Chem. A, DOI: 10.1021/jp3123677), the equilibrium dissociation energy (D e ) of the reaction ? was obtained by a composite method including frozen-core (fc) CCSD(T) calculations with basis sets up to cardinal number n = 7 followed by extrapolation to the complete basis set limit. Smaller terms beyond fc-CCSD(T) cancel each other almost completely. The D 0 values of FHF-, FDF-, and FTF- are predicted to be 15,176, 15,191, and 15,198 cm-1, respectively, with an uncertainty of ca. 15 cm-1.
NASA Astrophysics Data System (ADS)
Rothberg, Steve J.; Halkon, Ben J.; Tirabassi, Mario; Pusey, Chris
2012-11-01
Laser Doppler vibrometry (LDV) offers an attractive solution when radial vibration measurement directly from a rotor surface is required. Research to date has demonstrated application on polished-circular rotors and rotors coated with retro-reflective tape. In the latter case, however, a significant cross-sensitivity to the orthogonal radial vibration component occurs and post-processing is required to resolve individual radial vibration components. Until now, the fundamentally different behaviour observed between these cases has stood as an inconsistency in the published literature, symptomatic of the need to understand the effect of surface roughness. This paper offers the first consistent mathematical description of the polished-circular and rough rotor behaviours, combined with an experimental investigation of the relationship between surface roughness and cross-sensitivity. Rotors with surface roughness up to 10 nm satisfy the polished-circular rotor definition if vibration displacement is below 100% beam diameter, for a 90 μm beam, and below 40% beam diameter, for a 520 μm beam. On rotors with roughness between 10 nm and 50 nm, the polished-circular rotor definition is satisfied for vibration displacements up to 25% beam diameter, for a 90 μm beam, and up to 10% beam diameter, for a 520 μm beam. As roughness increases, cross-sensitivity increases but only rotors coated in retro-reflective tape satisfied the rough rotor definition fully. Consequently, when polished-circular surfaces are not available, rotor surfaces must be treated with retro-reflective tape and measurements post-processed to resolve individual vibration components. Through simulations, the value of the resolution and correction algorithms that form the post-processor has been demonstrated quantitatively. Simulations incorporating representative instrument misalignments and measurement noise have enabled quantification of likely error levels in radial vibration measurements. On a polished
Vibrational averages along thermal lines
NASA Astrophysics Data System (ADS)
Monserrat, Bartomeu
2016-01-01
A method is proposed for the calculation of vibrational quantum and thermal expectation values of physical properties from first principles. Thermal lines are introduced: these are lines in configuration space parametrized by temperature, such that the value of any physical property along them is approximately equal to the vibrational average of that property. The number of sampling points needed to explore the vibrational phase space is reduced by up to an order of magnitude when the full vibrational density is replaced by thermal lines. Calculations of the vibrational averages of several properties and systems are reported, namely, the internal energy and the electronic band gap of diamond and silicon, and the chemical shielding tensor of L-alanine. Thermal lines pave the way for complex calculations of vibrational averages, including large systems and methods beyond semilocal density functional theory.
King, Matthew D; Davis, Eric A; Smith, Tiffany M; Korter, Timothy M
2011-10-13
The terahertz (THz) spectra of crystalline solids are typically uniquely sensitive to the molecular packing configurations, allowing for the detection of polymorphs and hydrates by THz spectroscopic techniques. It is possible, however, that coincident absorptions may be observed between related crystal forms, in which case careful assessment of the lattice vibrations of each system must be performed. Presented here is a THz spectroscopic investigation of citric acid in its anhydrous and monohydrate phases. Remarkably similar features were observed in the THz spectra of both systems, requiring the accurate calculation of the low-frequency vibrational modes by solid-state density functional theory to determine the origins of these spectral features. The results of the simulations demonstrate the necessity of reliable and rigorous methods for THz vibrational modes to ensure the proper evaluation of the THz spectra of molecular solids.
Quantum repeaters: fundamental and future
NASA Astrophysics Data System (ADS)
Li, Yue; Hua, Sha; Liu, Yu; Ye, Jun; Zhou, Quan
2007-04-01
An overview of the Quantum Repeater techniques based on Entanglement Distillation and Swapping is provided. Beginning with a brief history and the basic concepts of the quantum repeaters, the article primarily focuses on the communication model based on the quantum repeater techniques, which mainly consists of two fundamental modules --- the Entanglement Distillation module and the Swapping module. The realizations of Entanglement Distillation are discussed, including the Bernstein's Procrustean method, the Entanglement Concentration and the CNOT-purification method, etc. The schemes of implementing Swapping, which include the Swapping based on Bell-state measurement and the Swapping in Cavity QED, are also introduced. Then a comparison between these realizations and evaluations on them are presented. At last, the article discusses the experimental schemes of quantum repeaters at present, documents some remaining problems and emerging trends in this field.
Astronomical reach of fundamental physics
NASA Astrophysics Data System (ADS)
Burrows, Adam S.; Ostriker, Jeremiah P.
2014-02-01
Using basic physical arguments, we derive by dimensional and physical analysis the characteristic masses and sizes of important objects in the universe in terms of just a few fundamental constants. This exercise illustrates the unifying power of physics and the profound connections between the small and the large in the cosmos we inhabit. We focus on the minimum and maximum masses of normal stars, the corresponding quantities for neutron stars, the maximum mass of a rocky planet, the maximum mass of a white dwarf, and the mass of a typical galaxy. To zeroth order, we show that all these masses can be expressed in terms of either the Planck mass or the Chandrasekar mass, in combination with various dimensionless quantities. With these examples, we expose the deep interrelationships imposed by nature between disparate realms of the universe and the amazing consequences of the unifying character of physical law.
Astronomical reach of fundamental physics.
Burrows, Adam S; Ostriker, Jeremiah P
2014-02-18
Using basic physical arguments, we derive by dimensional and physical analysis the characteristic masses and sizes of important objects in the universe in terms of just a few fundamental constants. This exercise illustrates the unifying power of physics and the profound connections between the small and the large in the cosmos we inhabit. We focus on the minimum and maximum masses of normal stars, the corresponding quantities for neutron stars, the maximum mass of a rocky planet, the maximum mass of a white dwarf, and the mass of a typical galaxy. To zeroth order, we show that all these masses can be expressed in terms of either the Planck mass or the Chandrasekar mass, in combination with various dimensionless quantities. With these examples, we expose the deep interrelationships imposed by nature between disparate realms of the universe and the amazing consequences of the unifying character of physical law.
Fundamentals of Acoustic Backscatter Imagery
2011-09-20
pressure, I,, of 1 /iPa, corresponds to 0.67 x 10- 8 Wim2. Assuming spherical spreading, the one meter distance reference frame, and the definition of dB (Eq...then be approximated by an infinite series Fundamentals ofAcoustic Backscatter Imagery 11 W(r) = Wm (r) + X Fjsc (r) j=O where "tic(r) is the incident...f( x ,y, Z)Iz=h(xy) = 0 f( x , y, z)I z=h( x ,y)= f( x , y, Z) I z o + h di+ h 2 d2f +zz z= The function ftx,y,z) can represent, for example, the stress
Fundamental Travel Demand Model Example
NASA Technical Reports Server (NTRS)
Hanssen, Joel
2010-01-01
Instances of transportation models are abundant and detailed "how to" instruction is available in the form of transportation software help documentation. The purpose of this paper is to look at the fundamental inputs required to build a transportation model by developing an example passenger travel demand model. The example model reduces the scale to a manageable size for the purpose of illustrating the data collection and analysis required before the first step of the model begins. This aspect of the model development would not reasonably be discussed in software help documentation (it is assumed the model developer comes prepared). Recommendations are derived from the example passenger travel demand model to suggest future work regarding the data collection and analysis required for a freight travel demand model.
Fundamental studies of polymer filtration
Smith, B.F.; Lu, M.T.; Robison, T.W.; Rogers, Y.C.; Wilson, K.V.
1998-12-31
This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The objectives of this project were (1) to develop an enhanced fundamental understanding of the coordination chemistry of hazardous-metal-ion complexation with water-soluble metal-binding polymers, and (2) to exploit this knowledge to develop improved separations for analytical methods, metals processing, and waste treatment. We investigated features of water-soluble metal-binding polymers that affect their binding constants and selectivity for selected transition metal ions. We evaluated backbone polymers using light scattering and ultrafiltration techniques to determine the effect of pH and ionic strength on the molecular volume of the polymers. The backbone polymers were incrementally functionalized with a metal-binding ligand. A procedure and analytical method to determine the absolute level of functionalization was developed and the results correlated with the elemental analysis, viscosity, and molecular size.
Fundamental concepts of quantum chaos
NASA Astrophysics Data System (ADS)
Robnik, M.
2016-09-01
We review the fundamental concepts of quantum chaos in Hamiltonian systems. The quantum evolution of bound systems does not possess the sensitive dependence on initial conditions, and thus no chaotic behaviour occurs, whereas the study of the stationary solutions of the Schrödinger equation in the quantum phase space (Wigner functions) reveals precise analogy of the structure of the classical phase portrait. We analyze the regular eigenstates associated with invariant tori in the classical phase space, and the chaotic eigenstates associated with the classically chaotic regions, and the corresponding energy spectra. The effects of quantum localization of the chaotic eigenstates are treated phenomenologically, resulting in Brody-like level statistics, which can be found also at very high-lying levels, while the coupling between the regular and the irregular eigenstates due to tunneling, and of the corresponding levels, manifests itself only in low-lying levels.
Cognition is … Fundamentally Cultural
Bender, Andrea; Beller, Sieghard
2013-01-01
A prevailing concept of cognition in psychology is inspired by the computer metaphor. Its focus on mental states that are generated and altered by information input, processing, storage and transmission invites a disregard for the cultural dimension of cognition, based on three (implicit) assumptions: cognition is internal, processing can be distinguished from content, and processing is independent of cultural background. Arguing against each of these assumptions, we point out how culture may affect cognitive processes in various ways, drawing on instances from numerical cognition, ethnobiological reasoning, and theory of mind. Given the pervasive cultural modulation of cognition—on all of Marr’s levels of description—we conclude that cognition is indeed fundamentally cultural, and that consideration of its cultural dimension is essential for a comprehensive understanding. PMID:25379225
Fundamental reaction pathways during coprocessing
Stock, L.M.; Gatsis, J.G. . Dept. of Chemistry)
1992-12-01
The objective of this research was to investigate the fundamental reaction pathways in coal petroleum residuum coprocessing. Once the reaction pathways are defined, further efforts can be directed at improving those aspects of the chemistry of coprocessing that are responsible for the desired results such as high oil yields, low dihydrogen consumption, and mild reaction conditions. We decided to carry out this investigation by looking at four basic aspects of coprocessing: (1) the effect of fossil fuel materials on promoting reactions essential to coprocessing such as hydrogen atom transfer, carbon-carbon bond scission, and hydrodemethylation; (2) the effect of varied mild conditions on the coprocessing reactions; (3) determination of dihydrogen uptake and utilization under severe conditions as a function of the coal or petroleum residuum employed; and (4) the effect of varied dihydrogen pressure, temperature, and residence time on the uptake and utilization of dihydrogen and on the distribution of the coprocessed products. Accomplishments are described.
Astronomical reach of fundamental physics
Burrows, Adam S.; Ostriker, Jeremiah P.
2014-01-01
Using basic physical arguments, we derive by dimensional and physical analysis the characteristic masses and sizes of important objects in the universe in terms of just a few fundamental constants. This exercise illustrates the unifying power of physics and the profound connections between the small and the large in the cosmos we inhabit. We focus on the minimum and maximum masses of normal stars, the corresponding quantities for neutron stars, the maximum mass of a rocky planet, the maximum mass of a white dwarf, and the mass of a typical galaxy. To zeroth order, we show that all these masses can be expressed in terms of either the Planck mass or the Chandrasekar mass, in combination with various dimensionless quantities. With these examples, we expose the deep interrelationships imposed by nature between disparate realms of the universe and the amazing consequences of the unifying character of physical law. PMID:24477692
Accurate Development of Thermal Neutron Scattering Cross Section Libraries
Hawari, Ayman; Dunn, Michael
2014-06-10
The objective of this project is to develop a holistic (fundamental and accurate) approach for generating thermal neutron scattering cross section libraries for a collection of important enutron moderators and reflectors. The primary components of this approach are the physcial accuracy and completeness of the generated data libraries. Consequently, for the first time, thermal neutron scattering cross section data libraries will be generated that are based on accurate theoretical models, that are carefully benchmarked against experimental and computational data, and that contain complete covariance information that can be used in propagating the data uncertainties through the various components of the nuclear design and execution process. To achieve this objective, computational and experimental investigations will be performed on a carefully selected subset of materials that play a key role in all stages of the nuclear fuel cycle.
Vibration damping method and apparatus
Redmond, James M.; Barney, Patrick S.; Parker, Gordon G.; Smith, David A.
1999-01-01
The present invention provides vibration damping method and apparatus that can damp vibration in more than one direction without requiring disassembly, that can accommodate varying tool dimensions without requiring re-tuning, and that does not interfere with tool tip operations and cooling. The present invention provides active dampening by generating bending moments internal to a structure such as a boring bar to dampen vibration thereof.
Vibration damping method and apparatus
Redmond, J.M.; Barney, P.S.; Parker, G.G.; Smith, D.A.
1999-06-22
The present invention provides vibration damping method and apparatus that can damp vibration in more than one direction without requiring disassembly, that can accommodate varying tool dimensions without requiring re-tuning, and that does not interfere with tool tip operations and cooling. The present invention provides active dampening by generating bending moments internal to a structure such as a boring bar to dampen vibration thereof. 38 figs.
Rare Isotopes and Fundamental Symmetries
NASA Astrophysics Data System (ADS)
Brown, B. Alex; Engel, Jonathan; Haxton, Wick; Ramsey-Musolf, Michael; Romalis, Michael; Savard, Guy
2009-01-01
Experiments searching for new interactions in nuclear beta decay / Klaus P. Jungmann -- The beta-neutrino correlation in sodium-21 and other nuclei / P. A. Vetter ... [et al.] -- Nuclear structure and fundamental symmetries/ B. Alex Brown -- Schiff moments and nuclear structure / J. Engel -- Superallowed nuclear beta decay: recent results and their impact on V[symbol] / J. C. Hardy and I. S. Towner -- New calculation of the isospin-symmetry breaking correlation to superallowed Fermi beta decay / I. S. Towner and J. C. Hardy -- Precise measurement of the [symbol]H to [symbol]He mass difference / D. E. Pinegar ... [et al.] -- Limits on scalar currents from the 0+ to 0+ decay of [symbol]Ar and isospin breaking in [symbol]Cl and [symbol]Cl / A. Garcia -- Nuclear constraints on the weak nucleon-nucleon interaction / W. C. Haxton -- Atomic PNC theory: current status and future prospects / M. S. Safronova -- Parity-violating nucleon-nucleon interactions: what can we learn from nuclear anapole moments? / B. Desplanques -- Proposed experiment for the measurement of the anapole moment in francium / A. Perez Galvan ... [et al.] -- The Radon-EDM experiment / Tim Chupp for the Radon-EDM collaboration -- The lead radius Eexperiment (PREX) and parity violating measurements of neutron densities / C. J. Horowitz -- Nuclear structure aspects of Schiff moment and search for collective enhancements / Naftali Auerbach and Vladimir Zelevinsky -- The interpretation of atomic electric dipole moments: Schiff theorem and its corrections / C. -P. Liu -- T-violation and the search for a permanent electric dipole moment of the mercury atom / M. D. Swallows ... [et al.] -- The new concept for FRIB and its potential for fundamental interactions studies / Guy Savard -- Collinear laser spectroscopy and polarized exotic nuclei at NSCL / K. Minamisono -- Environmental dependence of masses and coupling constants / M. Pospelov.
Fundamental enabling issues in nanotechnology :
Floro, Jerrold Anthony; Foiles, Stephen Martin; Hearne, Sean Joseph; Hoyt, Jeffrey John; Seel, Steven Craig; Webb III, Edmund Blackburn; Morales, Alfredo Martin; Zimmerman, Jonathan A.
2007-10-01
To effectively integrate nanotechnology into functional devices, fundamental aspects of material behavior at the nanometer scale must be understood. Stresses generated during thin film growth strongly influence component lifetime and performance; stress has also been proposed as a mechanism for stabilizing supported nanoscale structures. Yet the intrinsic connections between the evolving morphology of supported nanostructures and stress generation are still a matter of debate. This report presents results from a combined experiment and modeling approach to study stress evolution during thin film growth. Fully atomistic simulations are presented predicting stress generation mechanisms and magnitudes during all growth stages, from island nucleation to coalescence and film thickening. Simulations are validated by electrodeposition growth experiments, which establish the dependence of microstructure and growth stresses on process conditions and deposition geometry. Sandia is one of the few facilities with the resources to combine experiments and modeling/theory in this close a fashion. Experiments predicted an ongoing coalescence process that generates signficant tensile stress. Data from deposition experiments also supports the existence of a kinetically limited compressive stress generation mechanism. Atomistic simulations explored island coalescence and deposition onto surfaces intersected by grain boundary structures to permit investigation of stress evolution during later growth stages, e.g. continual island coalescence and adatom incorporation into grain boundaries. The predictive capabilities of simulation permit direct determination of fundamental processes active in stress generation at the nanometer scale while connecting those processes, via new theory, to continuum models for much larger island and film structures. Our combined experiment and simulation results reveal the necessary materials science to tailor stress, and therefore performance, in
Fundamental Physics and Precision Measurements
NASA Astrophysics Data System (ADS)
Hänsch, T. W.
2006-11-01
"Very high precision physics has always appealed to me. The steady improvement in technologies that afford higher and higher precision has been a regular source of excitement and challenge during my career. In science, as in most things, whenever one looks at something more closely, new aspects almost always come into play …" With these word from the book "How the Laser happened", Charles H. Townes expresses a passion for precision that is now shared by many scientists. Masers and lasers have become indispensible tools for precision measurements. During the past few years, the advent of femtosecond laser frequency comb synthesizers has revolutionized the art of directly comparing optical and microwave frequencies. Inspired by the needs of precision laser spectroscopy of the simple hydrogen atom, such frequency combs are now enabling ultra-precise spectroscopy over wide spectral ranges. Recent laboratory experiments are already setting stringent limits for possible slow variations of fundamental constants. Laser frequency combs also provide the long missing clockwork for optical atomic clocks that may ultimately reach a precision of parts in 1018 and beyond. Such tools will open intriguing new opportunities for fundamental experiments including new tests of special and general relativity. In the future, frequency comb techniques may be extended into the extreme ultraviolet and soft xray regime, opening a vast new spectral territory to precision measurements. Frequency combs have also become a key tool for the emerging new field of attosecond science, since they can control the electric field of ultrashort laser pulses on an unprecedented time scale. The biggest surprise in these endeavours would be if we found no surprise.
NASA Technical Reports Server (NTRS)
Eaker, Charles W.; Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)
1995-01-01
This paper describes the use of an exact fast Fourier transform (FFT) method to prepare specified vibrational-rotational states of triatomic molecules. The method determines the Fourier coefficients needed to describe the coordinates and momenta of a vibrating-rotating triatomic molecule. Once the Fourier coefficients of a particular state are determined, it is possible to easily generate as many random sets of initial cartesian coordinates and momenta as desired. All the members of each set will correspond to the particular vibrational-rotational state selected. For example, in the case of the ground vibrational state of a non-rotating water molecule, the calculated actions of 100 sets of initial conditions produced actions within 0.001 h(bar) of the specified quantization values and energies within 5 cm(sup -1) of the semiclassical eigenvalue. The numerical procedure is straightforward for states in which all the fundamental frequencies are independent. However for states for which the fundamental frequencies become commensurate (resonance states), there are additional complications. In these cases it is necessary to determine a new set of "fundamental" frequencies and to modify the quantization conditions. Once these adjustments are made, good results are obtained for resonance states. The major problems are in labelling the large number of Fourier coefficients and the presence of regions of chaotic motion. Results are presented for the vibrational states of H2O and HCN and the ro-vibrational states of H2O.
A fundamental model of mistuning for system identification and forced response prediction
NASA Astrophysics Data System (ADS)
Feiner, Drew M.
The vibratory response of a turbine blade is very sensitive to small changes in the blade properties. Therefore, the variations that come from the manufacturing process and wear can significantly increase a blade's vibratory stress at resonance. This phenomenon, referred to as mistuning, can cause blades in a gas turbine engine to fail from high cycle fatigue. A new reduced order model of mistuned bladed disk vibration is presented. This new approach is shown to accurately represent the response of real turbine geometries when only a single family of modes is excited. Yet its mathematical form is even simpler than that of a mass-spring model. Because it requires only minimal input data, this model is much easier to use than previous reduced order methods. Furthermore, its simplicity allows the fundamental parameters that control mistuning to be readily identified. This model is then used to develop a set of analysis tools to assess the mistuning in an engine component and predict its vibratory response under rotating conditions. These tools include a completely experimental method of system identification which uses vibratory response measurements of the bladed disk system as a whole to infer its mistuning. As a system-based method, this approach is particularly well suited to integrally bladed rotors, whose blades cannot be removed for individual testing. Next, an analytical method is developed to adjust mistuning for the effects of centrifugal stiffening. The approach allows mistuning measured from a stationary rotor to be used to predict the part's forced response under rotating conditions. Finally, the system identification method is extended to allow forced response measurements from a rotating test to be used as input. The mistuning measured through this approach will reflect all effects present during the operating conditions. One particular advantage of this method is that it can capture the effect of centrifugal loading on the mistuning of conventionally
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2013 CFR
2013-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2012 CFR
2012-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2014 CFR
2014-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
38 CFR 4.46 - Accurate measurement.
Code of Federal Regulations, 2011 CFR
2011-07-01
... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...
Coupling between flexural modes in free vibration of single-walled carbon nanotubes
Liu, Rumeng; Wang, Lifeng
2015-12-15
The nonlinear thermal vibration behavior of a single-walled carbon nanotube (SWCNT) is investigated by molecular dynamics simulation and a nonlinear, nonplanar beam model. Whirling motion with energy transfer between flexural motions is found in the free vibration of the SWCNT excited by the thermal motion of atoms where the geometric nonlinearity is significant. A nonlinear, nonplanar beam model considering the coupling in two vertical vibrational directions is presented to explain the whirling motion of the SWCNT. Energy in different vibrational modes is not equal even over a time scale of tens of nanoseconds, which is much larger than the period of fundamental natural vibration of the SWCNT at equilibrium state. The energy of different modes becomes equal when the time scale increases to the microsecond range.
Dynamic tire pressure sensor for measuring ground vibration.
Wang, Qi; McDaniel, James Gregory; Wang, Ming L
2012-11-07
This work presents a convenient and non-contact acoustic sensing approach for measuring ground vibration. This approach, which uses an instantaneous dynamic tire pressure sensor (DTPS), possesses the capability to replace the accelerometer or directional microphone currently being used for inspecting pavement conditions. By measuring dynamic pressure changes inside the tire, ground vibration can be amplified and isolated from environmental noise. In this work, verifications of the DTPS concept of sensing inside the tire have been carried out. In addition, comparisons between a DTPS, ground-mounted accelerometer, and directional microphone are made. A data analysis algorithm has been developed and optimized to reconstruct ground acceleration from DTPS data. Numerical and experimental studies of this DTPS reveal a strong potential for measuring ground vibration caused by a moving vehicle. A calibration of transfer function between dynamic tire pressure change and ground acceleration may be needed for different tire system or for more accurate application.
Effects of induced vibration modes on droplet sliding phenomena
NASA Astrophysics Data System (ADS)
Mejia, Jose Eduardo; Alvarado, Jorge; Yao, Chun-Wei; Dropwise Condensation Collaboration; Engineered Surfaces Collaboration
2016-11-01
An analytical and experimental investigation has been undertaken to understand the effects of induced vibration modes on droplet sliding phenomena. A mathematical model has been postulated which is capable of estimating accurately droplet sliding angles when using hydrophobic and hydrophilic surfaces. The model, which takes into account equilibrium contact angle, contact angle hysteresis, and droplet volume, has been validated using experimental data. The model has been modified to be able to estimate droplet sliding angle when different modes of vibrations are imposed on the surfaces. Experimental results to date reveal that when resonance modes of vibrations are imposed, the droplet sliding angles decrease considerably. The results also indicate that the modified model can be used effectively to relate imposed resonance frequencies to the critical sliding angle of droplets. LSAMP sponsored NSF Fellowship.
Dynamic Tire Pressure Sensor for Measuring Ground Vibration
Wang, Qi; McDaniel, James Gregory; Wang, Ming L.
2012-01-01
This work presents a convenient and non-contact acoustic sensing approach for measuring ground vibration. This approach, which uses an instantaneous dynamic tire pressure sensor (DTPS), possesses the capability to replace the accelerometer or directional microphone currently being used for inspecting pavement conditions. By measuring dynamic pressure changes inside the tire, ground vibration can be amplified and isolated from environmental noise. In this work, verifications of the DTPS concept of sensing inside the tire have been carried out. In addition, comparisons between a DTPS, ground-mounted accelerometer, and directional microphone are made. A data analysis algorithm has been developed and optimized to reconstruct ground acceleration from DTPS data. Numerical and experimental studies of this DTPS reveal a strong potential for measuring ground vibration caused by a moving vehicle. A calibration of transfer function between dynamic tire pressure change and ground acceleration may be needed for different tire system or for more accurate application. PMID:23202206
Vibrational predissociation of ArH2O
NASA Astrophysics Data System (ADS)
Bissonnette, C.; Clary, D. C.
1992-12-01
Accurate close-coupling calculations are used to investigate the vibrational predissociation of ArH2O as a function of the overall rotation J of the van der Waals complex. A full vibrational and rotational basis of H2O states is used in the calculation. The potential energy surface is of a form due to Cohen and Saykally and derived from far-infrared spectra, with an additional term to introduce the dependence on the vibrations of H2O. The linewidths calculated in this work show a maximum at J=6 and it is found that Fermi resonances affect dramatically the magnitude of the calculated linewidths. Good agreement with experimentally measured linewidths of Nesbitt and Lascola is achieved and the calculations provide a simple picture for the J dependence of the linewidths.
Turbine blade vibration dampening
Cornelius, C.C.; Pytanowski, G.P.; Vendituoli, J.S.
1997-07-08
The present turbine wheel assembly increases component life and turbine engine longevity. The combination of the strap and the opening combined with the preestablished area of the outer surface of the opening and the preestablished area of the outer circumferential surface of the strap and the friction between the strap and the opening increases the life and longevity of the turbine wheel assembly. Furthermore, the mass ``M`` or combined mass ``CM`` of the strap or straps and the centrifugal force assist in controlling vibrations and damping characteristics. 5 figs.
Turbine blade vibration dampening
Cornelius, Charles C.; Pytanowski, Gregory P.; Vendituoli, Jonathan S.
1997-07-08
The present turbine wheel assembly increases component life and turbine engine longevity. The combination of the strap and the opening combined with the preestablished area of the outer surface of the opening and the preestablished area of the outer circumferential surface of the strap and the friction between the strap and the opening increases the life and longevity of the turbine wheel assembly. Furthermore, the mass "M" or combined mass "CM" of the strap or straps and the centrifugal force assist in controlling vibrations and damping characteristics.
Allen, T.E.
1991-07-09
This patent describes a method of cementing a casing string in a bore hole of a well. It comprises introducing water and dry cement material into a mixing vessel; mixing the water and dry cement material in the mixing vessel to form a cement slurry, the slurry including lumps of the dry cement material, the mixing including steps of: agitating the slurry; and while agitating the slurry, transmitting vibrational energy into the slurry and thereby aiding disintegration and subsequent wetting of the lumps of the dry cement material in the slurry; and pumping the slurry into an annulus between the casing string and the bore hole.
Nonlinear interferometric vibrational imaging.
Marks, Daniel L; Boppart, Stephen A
2004-03-26
Coherent anti-Stokes Raman scattering (CARS) processes are "coherent," but the phase of the anti-Stokes radiation is lost by most incoherent spectroscopic CARS measurements. We propose a Raman microscopy imaging method called nonlinear interferometric vibrational imaging, which measures Raman spectra by obtaining the temporal anti-Stokes signal through nonlinear interferometry. With a more complete knowledge of the anti-Stokes signal, we show through simulations that a high-resolution Raman spectrum can be obtained of a molecule in a single pulse using broad band radiation. This could be useful for identifying the three-dimensional spatial distribution of molecular species in tissue.
Inversion vibration of PH3+(X~ 2A2'') studied by zero kinetic energy photoelectron spectroscopy
NASA Astrophysics Data System (ADS)
Yang, Jie; Li, Juan; Hao, Yusong; Zhou, Chang; Mo, Yuxiang
2006-08-01
We report the first rotationally resolved spectroscopic studies on PH3+(X˜A2″2) using zero kinetic energy photoelectron spectroscopy and coherent VUV radiation. The spectra about 8000cm-1 above the ground vibrational state of PH3+(X˜A2″2) have been recorded. We observed the vibrational energy level splittings of PH3+(X˜A2″2) due to the tunneling effect in the inversion (symmetric bending) vibration (ν2+). The energy splitting for the first inversion vibrational state (0+/0-) is 5.8cm-1. The inversion vibrational energy levels, rotational constants, and adiabatic ionization energies (IEs) for ν2+=0-16 have been determined. The bond angles between the neighboring P-H bonds and the P-H bond lengths are also obtained using the experimentally determined rotational constants. With the increasing of the inversion vibrational excitations (ν2+), the bond lengths (P-H) increase a little and the bond angles (H-P-H) decrease a lot. The inversion vibrational energy levels have also been calculated by using one dimensional potential model and the results are in good agreement with the experimental data for the first several vibrational levels. In addition to inversion vibration, we also observed firstly the other two vibrational modes: the symmetric P-H stretching vibration (ν1+) and the degenerate bending vibration (ν4+). The fundamental frequencies for ν1+ and ν4+ are 2461.6 (±2) and 1043.9 (±2)cm-1, respectively. The first IE for PH3 was determined as 79670.9 (±1)cm-1.
Apparent Mass and Absorbed Power during Exposure to Whole-Body Vibration and Repeated Shocks
NASA Astrophysics Data System (ADS)
MANSFIELD, N. J.; HOLMLUND, P.; LUNDSTRÖM, R.
2001-11-01
Exposure to mechanical shocks might pose a greater health risk than exposure to continuous vibration. Previous studies have investigated subjective responses, muscle activity or transmission of vibration to the spine or head during shock. If there is a difference between biomechanic responses of the seated body to shocks when compared to continuous vibration, then this may indicate a more, or less, hazardous vibration waveform. This paper presents measurements of apparent mass and absorbed power during exposure to random vibration, repeated shocks and combinations of shocks and random vibration. Eleven male and 13 female subjects were exposed to 15 vibration conditions generated using an electro-dynamic shaker. Subjects were exposed to five 20 s acceleration waveforms with nominally identical power spectra (random vibration, equally spaced shocks, unequally spaced shocks, random combined with equally spaced shocks, random combined with unequally spaced shocks) at each of 0·5, 1·0 and 1·5 m/s2r.m.s. The general shapes of the apparent mass or absorbed power curves were not affected by stimulus type, indicating that the biomechanical response of the body is fundamentally the same when exposed to shocks or random vibration. Two non-linear effects were observed: apparent mass resonance frequencies were slightly higher for exposure to shocks; apparent mass and absorbed power resonance frequencies decreased with increases in vibration magnitude for each stimulus type. It is concluded that the two non-linear mechanisms operate simultaneously: a stiffening effect during exposure to shocks and a softening effect as vibration magnitudes increase. Total absorbed powers were greatest for shock stimuli and least for random vibration.
How Do Fundamental Christians Deal with Depression?
ERIC Educational Resources Information Center
Spinney, Douglas Harvey
1991-01-01
Provides explanation of developmental dynamics in experience of fundamental Christians that provoke reactive depression. Describes depressant retardant defenses against depression that have been observed in Christian fundamental subculture. Suggests four counseling strategies for helping fundamentalists. (Author/ABL)
Fundamentals and Techniques of Nonimaging
O'Gallagher, J. J.; Winston, R.
2003-07-10
This is the final report describing a long term basic research program in nonimaging optics that has led to major advances in important areas, including solar energy, fiber optics, illumination techniques, light detectors, and a great many other applications. The term ''nonimaging optics'' refers to the optics of extended sources in systems for which image forming is not important, but effective and efficient collection, concentration, transport, and distribution of light energy is. Although some of the most widely known developments of the early concepts have been in the field of solar energy, a broad variety of other uses have emerged. Most important, under the auspices of this program in fundamental research in nonimaging optics established at the University of Chicago with support from the Office of Basic Energy Sciences at the Department of Energy, the field has become very dynamic, with new ideas and concepts continuing to develop, while applications of the early concepts continue to be pursued. While the subject began as part of classical geometrical optics, it has been extended subsequently to the wave optics domain. Particularly relevant to potential new research directions are recent developments in the formalism of statistical and wave optics, which may be important in understanding energy transport on the nanoscale. Nonimaging optics permits the design of optical systems that achieve the maximum possible concentration allowed by physical conservation laws. The earliest designs were constructed by optimizing the collection of the extreme rays from a source to the desired target: the so-called ''edge-ray'' principle. Later, new concentrator types were generated by placing reflectors along the flow lines of the ''vector flux'' emanating from lambertian emitters in various geometries. A few years ago, a new development occurred with the discovery that making the design edge-ray a functional of some other system parameter permits the construction of whole
VLT-CRIRES: ``Good Vibrations'' Rotational-vibrational molecular spectroscopy in astronomy
NASA Astrophysics Data System (ADS)
Käufl, H. U.
2010-05-01
Near-Infrared high spectral and spatial resolution spectroscopy offers new and innovative observing opportunities for astronomy. The ``traditional'' benefits of IR-astronomy - strongly reduced extinction and availability of adaptive optics - more than offset for many applications the compared to CCD-based astronomy strongly reduced sensitivity. Especially in high resolution spectroscopy interferences by telluric lines can be minimized. Moreover for abundance studies many important atomic lines can be accessed in the NIR. A novel spectral feature available for quantitative spectroscopy are the molecular rotational-vibrational transitions which allow for fundamentally new studies of condensed objects and atmospheres. This is also an important complement to radio-astronomy, especially with ALMA, where molecules are generally only observed in the vibrational ground state. Rot-vib transitions also allow high precision abundance measurements - including isotopic ratios - fundamental to understand the thermo-nuclear processes in stars beyond the main sequence. Quantitative modeling of atmospheres has progressed such that the unambiguous interpretation of IR-spectra is now well established. In combination with adaptive optics spectro-astrometry is even more powerful and with VLT-CRIRES a spatial resolution of better than one milli-arcsecond has been demonstrated. Some highlights and recent results will be presented: our solar system, extrasolar planets, star- and planet formation, stellar evolution and the formation of galactic bulges.
Intricate internal rotation surface and fundamental infrared transitions of the n-propyl radical.
Li, Chenyang; Agarwal, Jay; Wu, Chia-Hua; Allen, Wesley D; Schaefer, Henry F
2015-01-22
The potential energy surface for methylene hindered internal rotation is examined for the n-propyl radical, a molecule fundamental to combustion chemistry. Six stationary points are identified, and four of them are unique: 1, 2, TS1, and TS2. The remaining two structures 1' and TS1' are mirror images with respect to 1 and TS1. Focal point analysis, converged to the complete basis set limit of coupled-cluster theory with single, double, triple, and perturbative quadruple excitations [CCSDT(Q)], is employed to obtain the relative energies of these structures. A one-dimensional potential energy surface (PES) is constructed by explicitly mapping out a distinguished reaction path via constrained geometry optimizations. A "double-well" feature is observed on the electronic PES, but under the adiabatic approximation, the enthalpic (0 K) PES becomes a regular single-well potential with the expected 180° periodicity. The corresponding one-dimensional vibrational Schrödinger equation is solved using the Cooley-Numerov approach to obtain vibrational states of the methylene torsional motion. The predicted barrier for internal rotation is 105.5 and 137.2 cm(-1) for the electronic and enthalpic surfaces, respectively. Anharmonic (fundamental) vibrational frequencies are predicted for structure 1 using second-order vibrational perturbation theory, and the band origins for 11 modes are reported. Comparison with previous electron spin resonance and infrared spectroscopic work, in addition to other theoretical investigations, is made where possible.
Huang, Yu; Griffin, Michael J
2014-01-01
This study investigated the prediction of the discomfort caused by simultaneous noise and vibration from the discomfort caused by noise and the discomfort caused by vibration when they are presented separately. A total of 24 subjects used absolute magnitude estimation to report their discomfort caused by seven levels of noise (70-88 dBA SEL), 7 magnitudes of vibration (0.146-2.318 ms(- 1.75)) and all 49 possible combinations of these noise and vibration stimuli. Vibration did not significantly influence judgements of noise discomfort, but noise reduced vibration discomfort by an amount that increased with increasing noise level, consistent with a 'masking effect' of noise on judgements of vibration discomfort. A multiple linear regression model or a root-sums-of-squares model predicted the discomfort caused by combined noise and vibration, but the root-sums-of-squares model is more convenient and provided a more accurate prediction of the discomfort produced by combined noise and vibration.
Laser-Based Measurement Of Torsional Vibration
NASA Astrophysics Data System (ADS)
Eastwood, P. G.; Halliwell, N. A.
1986-07-01
Investigations of the torsional vibration characteristics of shaft systems which transmit pulsating torques are an important part of a machinery designer's responsibility. Satisfactory operation of such systems depends to a large extent on successful treatment of this vibration problem, since incorrectly or insufficiently controlled torsional oscillations can lead to fatigue failure, rapid bearing wear, gear hammer etc. The problem is particularly severe in engine crankshaft design where numerous failures have been traced to abnormal vibration at "critical" speeds. Traditionally, the monitoring of torsional oscillation has been performed using strain gauges, slip rings and a variety of mechanical and electrical "torsiographs". More recently systems employing slotted discs or toothed wheels together with proximity transducers have been preferred, but a disadvantage arises from all these methods in that they require contact with the rotating component which necessitates "downtime" for transducer attachment. Moreover, physical access to the rotating surface is often restricted thus making the use of such methods impractical. The "cross-beam" laser velocimeter provides a means of measuring torsional vibration by a non-contact method, thus effectively overcoming the disadvantages of previous measurement systems. This well established laser-based instrument provides a time-resolved voltage analogue of shaft tangential surface velocity and laboratory and field tests have shown it to be both accurate and reliable. The versatility of this instrument, however, is restricted by the need for accurate positioning, since the velocimeter must be arranged so that the rotating surface always traverses the beam intersection region, which is typically only a fraction of a millimetre in length. As a consequence use is restricted to components of circular cross section. This paper compares and contrasts the "cross-beam" system with a new laser instrument, the laser torsional vibrometer
Future Fundamental Combustion Research for Aeropropulsion Systems.
1985-01-01
AD-MISS 771 FUTURE FUNDAMENTAL COMBUSTION RESEARCH FOR I AEROPROPULSION SYSTEMS(U) NATIONAL AERONAUTICS AND I SPACE ADMINISTRATION CLEVELAND OH LEWIS... Future Fundamental Combustion Research for Aeropropulsion Systems u. Edward J. Mularz V Propulsion Laboratory A VSCOM Research and Technology Laboratories... FUTURE FUNDAMENTAL COMBUSTION RESEARCH FOR AEROPROPULSION SYSTEMS Edward J. Mularz
Development of vibrating insoles.
Hijmans, Juha M; Geertzen, Jan H B; Schokker, Bart; Postema, Klaas
2007-12-01
The objective of this study was to describe the development of vibrating insoles. Insoles, providing a subsensory mechanical noise signal to the plantar side of the feet, may improve balance in healthy young and older people and in patients with stroke or diabetic neuropathy. This study describes the requirements for the tactors, (tactile actuators) insole material and noise generator. A search for the components of vibrating insoles providing mechanical noise to the plantar side of the feet was performed. The mechanical noise signal should be provided by tactors built in an insole or shoe and should obtain an input signal from a noise generator and an amplifier. Possible tactors are electromechanical tactors, a piezo actuator or the VBW32 skin transducer. The Minirator MR1 of NTI, a portable MP3 player or a custom-made noise generator can provide these tactors with input. The tactors can be built in foam, silicone or cork insoles. In conclusion, a C2 electromechanical tactor, a piezo actuator or the VBW32 skin transducer, activated by a custom-made noise generator, built in a cork insole covered with a leather layer seems the ideal solution.
Fundamental Scaling Laws in Nanophotonics
Liu, Ke; Sun, Shuai; Majumdar, Arka; Sorger, Volker J.
2016-01-01
The success of information technology has clearly demonstrated that miniaturization often leads to unprecedented performance, and unanticipated applications. This hypothesis of “smaller-is-better” has motivated optical engineers to build various nanophotonic devices, although an understanding leading to fundamental scaling behavior for this new class of devices is missing. Here we analyze scaling laws for optoelectronic devices operating at micro and nanometer length-scale. We show that optoelectronic device performance scales non-monotonically with device length due to the various device tradeoffs, and analyze how both optical and electrical constrains influence device power consumption and operating speed. Specifically, we investigate the direct influence of scaling on the performance of four classes of photonic devices, namely laser sources, electro-optic modulators, photodetectors, and all-optical switches based on three types of optical resonators; microring, Fabry-Perot cavity, and plasmonic metal nanoparticle. Results show that while microrings and Fabry-Perot cavities can outperform plasmonic cavities at larger length-scales, they stop working when the device length drops below 100 nanometers, due to insufficient functionality such as feedback (laser), index-modulation (modulator), absorption (detector) or field density (optical switch). Our results provide a detailed understanding of the limits of nanophotonics, towards establishing an opto-electronics roadmap, akin to the International Technology Roadmap for Semiconductors. PMID:27869159
Fundamental Scaling Laws in Nanophotonics
NASA Astrophysics Data System (ADS)
Liu, Ke; Sun, Shuai; Majumdar, Arka; Sorger, Volker J.
2016-11-01
The success of information technology has clearly demonstrated that miniaturization often leads to unprecedented performance, and unanticipated applications. This hypothesis of “smaller-is-better” has motivated optical engineers to build various nanophotonic devices, although an understanding leading to fundamental scaling behavior for this new class of devices is missing. Here we analyze scaling laws for optoelectronic devices operating at micro and nanometer length-scale. We show that optoelectronic device performance scales non-monotonically with device length due to the various device tradeoffs, and analyze how both optical and electrical constrains influence device power consumption and operating speed. Specifically, we investigate the direct influence of scaling on the performance of four classes of photonic devices, namely laser sources, electro-optic modulators, photodetectors, and all-optical switches based on three types of optical resonators; microring, Fabry-Perot cavity, and plasmonic metal nanoparticle. Results show that while microrings and Fabry-Perot cavities can outperform plasmonic cavities at larger length-scales, they stop working when the device length drops below 100 nanometers, due to insufficient functionality such as feedback (laser), index-modulation (modulator), absorption (detector) or field density (optical switch). Our results provide a detailed understanding of the limits of nanophotonics, towards establishing an opto-electronics roadmap, akin to the International Technology Roadmap for Semiconductors.
Fundamental studies of fusion plasmas
Aamodt, R.E.; Catto, P.J.; D'Ippolito, D.A.; Myra, J.R.; Russell, D.A.
1992-05-26
The major portion of this program is devoted to critical ICH phenomena. The topics include edge physics, fast wave propagation, ICH induced high frequency instabilities, and a preliminary antenna design for Ignitor. This research was strongly coordinated with the world's experimental and design teams at JET, Culham, ORNL, and Ignitor. The results have been widely publicized at both general scientific meetings and topical workshops including the speciality workshop on ICRF design and physics sponsored by Lodestar in April 1992. The combination of theory, empirical modeling, and engineering design in this program makes this research particularly important for the design of future devices and for the understanding and performance projections of present tokamak devices. Additionally, the development of a diagnostic of runaway electrons on TEXT has proven particularly useful for the fundamental understanding of energetic electron confinement. This work has led to a better quantitative basis for quasilinear theory and the role of magnetic vs. electrostatic field fluctuations on electron transport. An APS invited talk was given on this subject and collaboration with PPPL personnel was also initiated. Ongoing research on these topics will continue for the remainder fo the contract period and the strong collaborations are expected to continue, enhancing both the relevance of the work and its immediate impact on areas needing critical understanding.
Fundamental Scaling Laws in Nanophotonics.
Liu, Ke; Sun, Shuai; Majumdar, Arka; Sorger, Volker J
2016-11-21
The success of information technology has clearly demonstrated that miniaturization often leads to unprecedented performance, and unanticipated applications. This hypothesis of "smaller-is-better" has motivated optical engineers to build various nanophotonic devices, although an understanding leading to fundamental scaling behavior for this new class of devices is missing. Here we analyze scaling laws for optoelectronic devices operating at micro and nanometer length-scale. We show that optoelectronic device performance scales non-monotonically with device length due to the various device tradeoffs, and analyze how both optical and electrical constrains influence device power consumption and operating speed. Specifically, we investigate the direct influence of scaling on the performance of four classes of photonic devices, namely laser sources, electro-optic modulators, photodetectors, and all-optical switches based on three types of optical resonators; microring, Fabry-Perot cavity, and plasmonic metal nanoparticle. Results show that while microrings and Fabry-Perot cavities can outperform plasmonic cavities at larger length-scales, they stop working when the device length drops below 100 nanometers, due to insufficient functionality such as feedback (laser), index-modulation (modulator), absorption (detector) or field density (optical switch). Our results provide a detailed understanding of the limits of nanophotonics, towards establishing an opto-electronics roadmap, akin to the International Technology Roadmap for Semiconductors.
Information physics fundamentals of nanophotonics.
Naruse, Makoto; Tate, Naoya; Aono, Masashi; Ohtsu, Motoichi
2013-05-01
Nanophotonics has been extensively studied with the aim of unveiling and exploiting light-matter interactions that occur at a scale below the diffraction limit of light, and recent progress made in experimental technologies--both in nanomaterial fabrication and characterization--is driving further advancements in the field. From the viewpoint of information, on the other hand, novel architectures, design and analysis principles, and even novel computing paradigms should be considered so that we can fully benefit from the potential of nanophotonics. This paper examines the information physics aspects of nanophotonics. More specifically, we present some fundamental and emergent information properties that stem from optical excitation transfer mediated by optical near-field interactions and the hierarchical properties inherent in optical near-fields. We theoretically and experimentally investigate aspects such as unidirectional signal transfer, energy efficiency and networking effects, among others, and we present their basic theoretical formalisms and describe demonstrations of practical applications. A stochastic analysis of light-assisted material formation is also presented, where an information-based approach provides a deeper understanding of the phenomena involved, such as self-organization. Furthermore, the spatio-temporal dynamics of optical excitation transfer and its inherent stochastic attributes are utilized for solution searching, paving the way to a novel computing paradigm that exploits coherent and dissipative processes in nanophotonics.
Levitated Optomechanics for Fundamental Physics
NASA Astrophysics Data System (ADS)
Rashid, Muddassar; Bateman, James; Vovrosh, Jamie; Hempston, David; Ulbricht, Hendrik
2015-05-01
Optomechanics with levitated nano- and microparticles is believed to form a platform for testing fundamental principles of quantum physics, as well as find applications in sensing. We will report on a new scheme to trap nanoparticles, which is based on a parabolic mirror with a numerical aperture of 1. Combined with achromatic focussing, the setup is a cheap and readily straightforward solution to trapping nanoparticles for further study. Here, we report on the latest progress made in experimentation with levitated nanoparticles; these include the trapping of 100 nm nanodiamonds (with NV-centres) down to 1 mbar as well as the trapping of 50 nm Silica spheres down to 10?4 mbar without any form of feedback cooling. We will also report on the progress to implement feedback stabilisation of the centre of mass motion of the trapped particle using digital electronics. Finally, we argue that such a stabilised particle trap can be the particle source for a nanoparticle matterwave interferometer. We will present our Talbot interferometer scheme, which holds promise to test the quantum superposition principle in the new mass range of 106 amu. EPSRC, John Templeton Foundation.
Gas cell neutralizers (Fundamental principles)
Fuehrer, B.
1985-06-01
Neutralizing an ion-beam of the size and energy levels involved in the neutral-particle-beam program represents a considerable extension of the state-of-the-art of neutralizer technology. Many different mediums (e.g., solid, liquid, gas, plasma, photons) can be used to strip the hydrogen ion of its extra electron. A large, multidisciplinary R and D effort will no doubt be required to sort out all of the ''pros and cons'' of these various techniques. The purpose of this particular presentation is to discuss some basic configurations and fundamental principles of the gas type of neutralizer cell. Particular emphasis is placed on the ''Gasdynamic Free-Jet'' neutralizer since this configuration has the potential of being much shorter than other type of gas cells (in the beam direction) and it could operate in nearly a continuous mode (CW) if necessary. These were important considerations in the ATSU design which is discussed in some detail in the second presentation entitled ''ATSU Point Design''.
Hyperbolic metamaterials: fundamentals and applications.
Shekhar, Prashant; Atkinson, Jonathan; Jacob, Zubin
2014-01-01
Metamaterials are nano-engineered media with designed properties beyond those available in nature with applications in all aspects of materials science. In particular, metamaterials have shown promise for next generation optical materials with electromagnetic responses that cannot be obtained from conventional media. We review the fundamental properties of metamaterials with hyperbolic dispersion and present the various applications where such media offer potential for transformative impact. These artificial materials support unique bulk electromagnetic states which can tailor light-matter interaction at the nanoscale. We present a unified view of practical approaches to achieve hyperbolic dispersion using thin film and nanowire structures. We also review current research in the field of hyperbolic metamaterials such as sub-wavelength imaging and broadband photonic density of states engineering. The review introduces the concepts central to the theory of hyperbolic media as well as nanofabrication and characterization details essential to experimentalists. Finally, we outline the challenges in the area and offer a set of directions for future work.
Vibration suppression in a large space structure
NASA Technical Reports Server (NTRS)
Narendra, Kumpati S.
1988-01-01
The Yale University Center for Systems Science and the NASA Johnson Space Center collaborated in a study of vibration suppression in a large space structure during the period January 1985 to August 1987. The research proposal submitted by the Center to NASA concerned disturbance isolation in flexible space structures. The general objective of the proposal was to create within the Center a critical mass of expertise on problems related to the dynamics and control of large flexible space structures. A specific objective was to formulate both passive and active control strategies for the disturbance isolation problem. Both objectives were achieved during the period of the contract. While an extensive literature exists on the control of flexible space structures, it is generally acknowledged that many important questions remain open at even a fundamental level. Hence, instead of studying grossly simplified models of complex structural systems, it was decided as a first step to confine attention to detailed and thorough analyses of simple structures.
Vibration Response of Airplane Structures
NASA Technical Reports Server (NTRS)
Theodorsen, Theodore; Gelalles, A G
1935-01-01
This report presents test results of experiments on the vibration-response characteristics of airplane structures on the ground and in flight. It also gives details regarding the construction and operation of vibration instruments developed by the National Advisory Committee for Aeronautics.
Vibration Analysis by Speckle Interferometry,
The vibrational modes of complex systems can be visualized with high sensitivity by laser light speckle interferometry. Electronic speckle pattern...interferometry (ESPI), in contrast to holography, does not use photo-chemical storage media but shows a live image of the vibrational modes created by
Kesharwani, Manoj K; Brauer, Brina; Martin, Jan M L
2015-03-05
We have obtained uniform frequency scaling factors λ(harm) (for harmonic frequencies), λ(fund) (for fundamentals), and λ(ZPVE) (for zero-point vibrational energies (ZPVEs)) for the Weigend-Ahlrichs and other selected basis sets for MP2, SCS-MP2, and a variety of DFT functionals including double hybrids. For selected levels of theory, we have also obtained scaling factors for true anharmonic fundamentals and ZPVEs obtained from quartic force fields. For harmonic frequencies, the double hybrids B2PLYP, B2GP-PLYP, and DSD-PBEP86 clearly yield the best performance at RMSD = 10-12 cm(-1) for def2-TZVP and larger basis sets, compared to 5 cm(-1) at the CCSD(T) basis set limit. For ZPVEs, again, the double hybrids are the best performers, reaching root-mean-square deviations (RMSDs) as low as 0.05 kcal/mol, but even mainstream functionals like B3LYP can get down to 0.10 kcal/mol. Explicitly anharmonic ZPVEs only are marginally more accurate. For fundamentals, however, simple uniform scaling is clearly inadequate.
Dynamic Loads Generation for Multi-Point Vibration Excitation Problems
NASA Technical Reports Server (NTRS)
Shen, Lawrence
2011-01-01
A random-force method has been developed to predict dynamic loads produced by rocket-engine random vibrations for new rocket-engine designs. The method develops random forces at multiple excitation points based on random vibration environments scaled from accelerometer data obtained during hot-fire tests of existing rocket engines. This random-force method applies random forces to the model and creates expected dynamic response in a manner that simulates the way the operating engine applies self-generated random vibration forces (random pressure acting on an area) with the resulting responses that we measure with accelerometers. This innovation includes the methodology (implementation sequence), the computer code, two methods to generate the random-force vibration spectra, and two methods to reduce some of the inherent conservatism in the dynamic loads. This methodology would be implemented to generate the random-force spectra at excitation nodes without requiring the use of artificial boundary conditions in a finite element model. More accurate random dynamic loads than those predicted by current industry methods can then be generated using the random force spectra. The scaling method used to develop the initial power spectral density (PSD) environments for deriving the random forces for the rocket engine case is based on the Barrett Criteria developed at Marshall Space Flight Center in 1963. This invention approach can be applied in the aerospace, automotive, and other industries to obtain reliable dynamic loads and responses from a finite element model for any structure subject to multipoint random vibration excitations.
Efficient forced vibration reanalysis method for rotating electric machines
NASA Astrophysics Data System (ADS)
Saito, Akira; Suzuki, Hiromitsu; Kuroishi, Masakatsu; Nakai, Hideo
2015-01-01
Rotating electric machines are subject to forced vibration by magnetic force excitation with wide-band frequency spectrum that are dependent on the operating conditions. Therefore, when designing the electric machines, it is inevitable to compute the vibration response of the machines at various operating conditions efficiently and accurately. This paper presents an efficient frequency-domain vibration analysis method for the electric machines. The method enables the efficient re-analysis of the vibration response of electric machines at various operating conditions without the necessity to re-compute the harmonic response by finite element analyses. Theoretical background of the proposed method is provided, which is based on the modal reduction of the magnetic force excitation by a set of amplitude-modulated standing-waves. The method is applied to the forced response vibration of the interior permanent magnet motor at a fixed operating condition. The results computed by the proposed method agree very well with those computed by the conventional harmonic response analysis by the FEA. The proposed method is then applied to the spin-up test condition to demonstrate its applicability to various operating conditions. It is observed that the proposed method can successfully be applied to the spin-up test conditions, and the measured dominant frequency peaks in the frequency response can be well captured by the proposed approach.
Nonlinear vibration of a hemispherical dome under external water pressure
NASA Astrophysics Data System (ADS)
Ross, C. T. F.; McLennan, A.; Little, A. P. F.
2011-07-01
The aim of this study was to analyse the behaviour of a hemi-spherical dome when vibrated under external water pressure, using the commercial computer package ANSYS 11.0. In order to achieve this aim, the dome was modelled and vibrated in air and then in water, before finally being vibrated under external water pressure. The results collected during each of the analyses were compared to the previous studies, and this demonstrated that ANSYS was a suitable program and produced accurate results for this type of analysis, together with excellent graphical displays. The analysis under external water pressure, clearly demonstrated that as external water pressure was increased, the resonant frequencies decreased and a type of dynamic buckling became likely; because the static buckling eigenmode was similar to the vibration eigenmode. ANSYS compared favourably with the in-house software, but had the advantage that it produced graphical displays. This also led to the identification of previously undetected meridional modes of vibration; which were not detected with the in-house software.
Transition Mode Shapes in a Vibrating Drop
NASA Astrophysics Data System (ADS)
Vukasinovic, Bojan; Smith, Marc K.; Glezer, Ari
2000-11-01
Vertical, time-periodic vibration of a diaphragm has been used to atomize a primary sessile drop into a fine spray of secondary droplets. The evolution and rate of atomization depend on the coupled dynamics of the sessile drop and the piezoelectrically-driven, low-mass diaphragm. The evolution of the free surface of the drop is characterized by the appearance of a hierarchy of surface waves that we investigated using high-speed imaging and laser vibrometry. At low-driving amplitudes, we see the appearance of time-harmonic axisymmetric waves on the drop's free surface induced by the motion of the contact line. As the vibration amplitude increases, azimuthal waves at the subharmonic of the forcing frequency appear around the periphery of the drop and propagate towards its center. A striking lattice mode emerges upon the breakdown of the axisymmetric wave pattern, followed by the appearance of the highly-agitated free surface of the pre-ejection mode shape. Subsequent to the breakdown of the lattice structure, the frequency of the most energetic mode is a subharmonic of the driving frequency. The complex interaction of the fundamental and subharmonic waves ultimately leads to the breakdown of the free surface and the atomization of the drop.
Force Limited Vibration Testing Monograph
NASA Technical Reports Server (NTRS)
Scharton, Terry D.
1997-01-01
The practice of limiting the shaker force in vibration tests was investigated at the NASA Jet Propulsion Laboratory (JPL) in 1990 after the mechanical failure of an aerospace component during a vibration test. Now force limiting is used in almost every major vibration test at JPL and in many vibration tests at NASA Goddard Space Flight Center (GSFC) and at many aerospace contractors. The basic ideas behind force limiting have been in the literature for several decades, but the piezo-electric force transducers necessary to conveniently implement force limiting have been available only in the last decade. In 1993, funding was obtained from the NASA headquarters Office of Chief Engineer to develop and document the technology needed to establish force limited vibration testing as a standard approach available to all NASA centers and aerospace contractors. This monograph is the final report on that effort and discusses the history, theory, and applications of the method in some detail.
Vibration analysis using digital correlation
NASA Technical Reports Server (NTRS)
Gilbert, John A.; Lehner, David L.; Dudderar, T. Dixon; Matthys, Donald R.
1988-01-01
This paper demonstrates the use of a computer-based optical method for locating the positions of nodes and antinodes in vibrating members. Structured light patterns are projected at an angle onto the vibrating surface using a 35 mm slide projector. The vibrating surface and the projected images are captured in a time averaged photograph which is subsequently digitized. The inherent fringe patterns are filtered to determine amplitudes of vibration, and computer programs are used to compare the time averaged images to images recorded prior to excitation to locate nodes and antinodes. Some of the influences of pattern regularity on digital correlation are demonstrated, and a speckle-based method for determining the mode shapes and the amplitudes of vibration with variable sensitivity is suggested.
Vibration-insensitive interferometer for on-line measurements.
Melozzi, M; Pezzati, L; Mazzoni, A
1995-09-01
We have realized a digital Twyman-Green interferometer to measure the quality of optical surfaces in unstable environments. The system yields accurate measurements even in the presence of severe mechanical vibrations. The interferograms are decoded by application of a spatial-carrier phase-shifting fringe-analysis technique. The interferometer was mounted over a production machine and used for on-line measurements of aspheric mirror surfaces during the figuring and polishing process.
Vibrational effects on surface energies and band gaps in hexagonal and cubic ice
NASA Astrophysics Data System (ADS)
Engel, Edgar A.; Monserrat, Bartomeu; Needs, Richard J.
2016-07-01
Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from -1.2 eV for the cubic ice basal surface up to -1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.
An embedded-atom-method model for alkali-metal vibrations.
Wilson, R B; Riffe, D M
2012-08-22
We present an embedded-atom-method (EAM) model that accurately describes the vibrational dynamics in the alkali metals Li, Na, K, Rb and Cs. The bulk dispersion curves, frequency-moment Debye temperatures and temperature-dependent entropy Debye temperatures are all in excellent agreement with experimental results. The model is also well suited for studying surface vibrational dynamics in these materials, as illustrated by calculations for the Na(110) surface.
Vibrational transfer functions for complex structures
NASA Technical Reports Server (NTRS)
Jones, P. A.; Berry, R. L.
1972-01-01
Evaluation of effects of vibrational multiple frequency forcing functions is discussed. Computer program for developing vibrational transfer functions is described. Possible applications of computer program are enumerated.
NASA Astrophysics Data System (ADS)
Epa, V. C.; Thorson, W. R.
1990-09-01
This paper concludes a theoretical study of vibrational dynamics in the bifluoride ion FHF-, which exhibits strongly anharmonic and coupled motions. Two previous papers have described an extended model potential surface for the system, developed a scheme for analysis based on a zero-order adiabatic separation of the proton bending and stretching motions (ν2,ν3) from the slower F-F symmetric-stretch motion (ν1), and presented results of accurate calculations of the adiabatic protonic eigenstates. Here the ν1 motion has been treated, in adiabatic approximation and also including nonadiabatic couplings in close-coupled calculations with up to three protonic states (channels). States of the system involving more than one quantum of protonic excitation (e.g., 2ν2, 2ν3 σg states; 3ν2, ν2+2ν3 πu states; ν3+2ν2, 3ν3 σu states) exhibit strong mixing at avoided crossings of protonic levels, and these effects are discussed in detail. Dipole matrix elements and relative intensities for vibrational transitions have been computed with an electronic dipole moment function based on ab initio calculations for an extended range of geometries. Frequencies, relative IR intensities and other properties of interest are compared with high resolution spectroscopic data for the gas-phase free ion and with the IR absorption spectra of KHF2(s) and NaHF2(s). Errors in the ab initio potential surface yield fundamental frequencies ν2 and ν3 100-250 cm-1 higher than those observed in either the free ion or the crystalline solids, but these differences are consistent and an unambiguous assignment of essentially all transitions in the IR spectrum of KHF2 is made. Calculated relative intensities for stretching mode (ν3, σu symmetry) transitions agree well with those observed in both KHF2 [e.g., bands (ν3+nν1), (ν3+2ν2), (3ν3), etc.] and the free ion (ν3,ν3+ν1). Calculated intensities for bending mode (ν2, πu symmetry) transitions agree well with experiment for the ν2
Fundamental Investigations of Airframe Noise
NASA Technical Reports Server (NTRS)
Macaraeg, M. G.
2004-01-01
An extensive numerical and experimental study of airframe noise mechanisms associated with a subsonic high-lift system has been performed at NASA Langley Research Center (LaRC). Investigations involving both steady and unsteady computations and experiments on a small-scale, part-span flap model are presented. Both surface (steady and unsteady pressure measurements, hot films, oil flows, pressure sensitive paint) and off surface (5 hole-probe, particle-imaged velocimetry, laser velocimetry, laser light sheet measurements) were taken in the LaRC Quiet Flow Facility (QFF) and several hard-wall tunnels up to flight Reynolds number. Successful microphone array measurements were also taken providing both acoustic source maps on the model, and quantitative spectra. Critical directivity measurements were obtained in the QFF. NASA Langley unstructured and structured Reynolds- Averaged Navier-Stokes codes modeled the flap geometries excellent comparisons with surface and offsurface experimental data were obtained. Subsequently, these meanflow calculations were utilized in both linear stability and direct numerical simulations of the flap-edge flow field to calculate unsteady surface pressures and farfield acoustic spectra. Accurate calculations were critical in obtaining not only noise source characteristics, but shear layer correction data as well. Techniques utilized in these investigations as well as brief overviews of results will be given.
Fundamental Principles of Proper Space Kinematics
NASA Astrophysics Data System (ADS)
Wade, Sean
It is desirable to understand the movement of both matter and energy in the universe based upon fundamental principles of space and time. Time dilation and length contraction are features of Special Relativity derived from the observed constancy of the speed of light. Quantum Mechanics asserts that motion in the universe is probabilistic and not deterministic. While the practicality of these dissimilar theories is well established through widespread application inconsistencies in their marriage persist, marring their utility, and preventing their full expression. After identifying an error in perspective the current theories are tested by modifying logical assumptions to eliminate paradoxical contradictions. Analysis of simultaneous frames of reference leads to a new formulation of space and time that predicts the motion of both kinds of particles. Proper Space is a real, three-dimensional space clocked by proper time that is undergoing a densification at the rate of c. Coordinate transformations to a familiar object space and a mathematical stationary space clarify the counterintuitive aspects of Special Relativity. These symmetries demonstrate that within the local universe stationary observers are a forbidden frame of reference; all is in motion. In lieu of Quantum Mechanics and Uncertainty the use of the imaginary number i is restricted for application to the labeling of mass as either material or immaterial. This material phase difference accounts for both the perceived constant velocity of light and its apparent statistical nature. The application of Proper Space Kinematics will advance more accurate representations of microscopic, oscopic, and cosmological processes and serve as a foundation for further study and reflection thereafter leading to greater insight.
Fundamental structures of dynamic social networks.
Sekara, Vedran; Stopczynski, Arkadiusz; Lehmann, Sune
2016-09-06
Social systems are in a constant state of flux, with dynamics spanning from minute-by-minute changes to patterns present on the timescale of years. Accurate models of social dynamics are important for understanding the spreading of influence or diseases, formation of friendships, and the productivity of teams. Although there has been much progress on understanding complex networks over the past decade, little is known about the regularities governing the microdynamics of social networks. Here, we explore the dynamic social network of a densely-connected population of ∼1,000 individuals and their interactions in the network of real-world person-to-person proximity measured via Bluetooth, as well as their telecommunication networks, online social media contacts, geolocation, and demographic data. These high-resolution data allow us to observe social groups directly, rendering community detection unnecessary. Starting from 5-min time slices, we uncover dynamic social structures expressed on multiple timescales. On the hourly timescale, we find that gatherings are fluid, with members coming and going, but organized via a stable core of individuals. Each core represents a social context. Cores exhibit a pattern of recurring meetings across weeks and months, each with varying degrees of regularity. Taken together, these findings provide a powerful simplification of the social network, where cores represent fundamental structures expressed with strong temporal and spatial regularity. Using this framework, we explore the complex interplay between social and geospatial behavior, documenting how the formation of cores is preceded by coordination behavior in the communication networks and demonstrating that social behavior can be predicted with high precision.
Fundamental structures of dynamic social networks
Sekara, Vedran; Stopczynski, Arkadiusz; Lehmann, Sune
2016-01-01
Social systems are in a constant state of flux, with dynamics spanning from minute-by-minute changes to patterns present on the timescale of years. Accurate models of social dynamics are important for understanding the spreading of influence or diseases, formation of friendships, and the productivity of teams. Although there has been much progress on understanding complex networks over the past decade, little is known about the regularities governing the microdynamics of social networks. Here, we explore the dynamic social network of a densely-connected population of ∼1,000 individuals and their interactions in the network of real-world person-to-person proximity measured via Bluetooth, as well as their telecommunication networks, online social media contacts, geolocation, and demographic data. These high-resolution data allow us to observe social groups directly, rendering community detection unnecessary. Starting from 5-min time slices, we uncover dynamic social structures expressed on multiple timescales. On the hourly timescale, we find that gatherings are fluid, with members coming and going, but organized via a stable core of individuals. Each core represents a social context. Cores exhibit a pattern of recurring meetings across weeks and months, each with varying degrees of regularity. Taken together, these findings provide a powerful simplification of the social network, where cores represent fundamental structures expressed with strong temporal and spatial regularity. Using this framework, we explore the complex interplay between social and geospatial behavior, documenting how the formation of cores is preceded by coordination behavior in the communication networks and demonstrating that social behavior can be predicted with high precision. PMID:27555584
Less-invasive non-embedded cell cutting by nanomanipulation and vibrating nanoknife
NASA Astrophysics Data System (ADS)
Shang, Wanfeng; Li, Dengfeng; Lu, Haojian; Fukuda, Toshio; Shen, Yajing
2017-01-01
The less-invasive non-embedded cell cutting or slicing technique provides opportunities for a bio-study at subcellular scale, but there are few effective solutions available at the current stage. This paper reports a robot-aided vibrating system for less-invasive non-embedded cell cutting and investigates the role of key vibrating parameters in the cell cutting process. First, a nanoknife with sharp angle 5° is fabricated from a commercial atomic force microscope cantilever by focused ion beam etching and a vibrating system is constructed from a piezo actuator. Then, they are integrated with a self-developed nanorobotic manipulation system inside an environment scanning electron microscope. After that, we choose yeast cells as the sample to implement the vibrating cutting and investigate the effect of vibrating parameters (frequency and amplitude) on cell cutting quality. The results clearly indicate that the vibrating nanoknife is able to reduce the cutting force and improve the cutting quality. It is also suggested that the repeated load-unload (impact) cycle is the main reason for the better performance of vibrating cutting. The effect of vibrating parameters at small scale benefits our fundamental understanding on cell mechanics, and this research paves a way for the low-destructive non-embedded cell cutting and promotes the practical cell cutting techniques.
Vibrational branching ratios and shape resonant photoionization dynamics in N2O
NASA Astrophysics Data System (ADS)
Braunstein, M.; McKoy, V.
1989-02-01
Accurate photoelectron continuum orbitals are used to study vibrational branching ratios and photoelectron asymmetry parameters for alternative vibrational modes in the photoionization of N2O (7sigma exp -1). The strong non-Franck-Dondon vibrational ion distributions for the symmetric and antisymmetric stretching modes at low photoelectron energies observed in the dispersed ionic fluorescence measurements of Poliakoff et al. (1986) are confirmed. It is shown that these features arise from a sigma shape resonance which is associated with the molecular framework as a whole and not with either of its fragments, N-N or N-O.
GEOMETRY AND VIBRATIONAL SPECTRA OF ALKALINE-EARTH DIHALIDES, II. CaF2, SrF2 AND BaF2.
the shifts of the vibrational modes on isotopic substitution upper and lower limits for the apex angles of these molecules can be established. The...fundamental frequencies, as well as approximate values for the anharmonic corrections to these vibrational modes . The statistical entropies calculated
Gough, Colin E
2012-05-01
The modal frequencies and bending mode shapes of a freely supported tapered violin bow are investigated by finite element analysis and direct measurement, with and without tensioned bow hair. Such computations are used with analytic models to model the admittance presented to the stretched bow hairs at the ends of the bow and to the string at the point of contact with the bow. Finite element computations are also used to demonstrate the influence of the lowest stick mode vibrations on the low frequency bouncing modes, when the hand-held bow is pressed against the string. The possible influence of the dynamic stick modes on the sound of the bowed instrument is briefly discussed.
Structural Acoustics and Vibrations
NASA Astrophysics Data System (ADS)
Chaigne, Antoine
This
NASA Astrophysics Data System (ADS)
Bromirski, P. D.; Diez, A.; Gerstoft, P.; Stephen, R. A.; Bolmer, T.; Wiens, D. A.; Aster, R. C.; Nyblade, A.
2015-09-01
Broadband seismic stations were deployed across the Ross Ice Shelf (RIS) in November 2014 to study ocean gravity wave-induced vibrations. Initial data from three stations 100 km from the RIS front and within 10 km of each other show both dispersed infragravity (IG) wave and ocean swell-generated signals resulting from waves that originate in the North Pacific. Spectral levels from 0.001 to 10 Hz have the highest accelerations in the IG band (0.0025-0.03 Hz). Polarization analyses indicate complex frequency-dependent particle motions, with energy in several frequency bands having distinctly different propagation characteristics. The dominant IG band signals exhibit predominantly horizontal propagation from the north. Particle motion analyses indicate retrograde elliptical particle motions in the IG band, consistent with these signals propagating as Rayleigh-Lamb (flexural) waves in the ice shelf/water cavity system that are excited by ocean wave interactions nearer the shelf front.
The Bending Vibrations of the C_3-ISOTOPOLOGUES in the 1.9 Terahertz Region
NASA Astrophysics Data System (ADS)
Breier, A.; Büchling, Thomas; Lutter, Volker; Schnierer, Rico; Fuchs, Guido W.; Giesen, Thomas
2016-06-01
Short carbon chains are fundamental for the chemistry of stellar and interstellar ambiences. The linear carbon chain molecule C_3 has been found in various interstellar and circumstellar environments, encompassing diffuse interstellar clouds, star forming regions, shells of late type stars, as well as cometary tails. Due to the lack of a permanent dipole moment C_3 can only be detected by electronic transitions in the visible spectral range or by vibrational bands in the mid-and far-infrared region. We performed experiments where C_3 was produced via laser-ablation of a graphite rod with a 3 bar He purge and a subsequent adiabatic expansion into a vaccum resulting in a supersonic jet. We report laboratory measurements of the lowest bending mode transitions of six 13C-isotopologues of the linear C_3 molecule. Fifty-eight transitions have been measured between 1.8-1.9 THz with an accuracy of better than 1 MHz. Molecular parameters have been derived to give accurate line frequency positions of all 13C isotopologues to ease their future interstellar detection. A dedicated observation for singly substituted 13CCC is projected within the SOFIA airborne observatory mission.
Astronomia Motivadora no Ensino Fundamental
NASA Astrophysics Data System (ADS)
Melo, J.; Voelzke, M. R.
2008-09-01
O objetivo principal deste trabalho é procurar desenvolver o interesse dos alunos pelas ciências através da Astronomia. Uma pesquisa com perguntas sobre Astronomia foi realizada junto a 161 alunos do Ensino Fundamental, com o intuito de descobrir conhecimentos prévios dos alunos sobre o assunto. Constatou-se, por exemplo, que 29,3% da 6Âª série responderam corretamente o que é eclipse, 30,0% da 8Âª série acertaram o que a Astronomia estuda, enquanto 42,3% dos alunos da 5Âª série souberam definir o Sol. Pretende-se ampliar as turmas participantes e trabalhar, principalmente de forma prática com: dimensões e escalas no Sistema Solar, construção de luneta, questões como dia e noite, estações do ano e eclipses. Busca-se abordar, também, outros conteúdos de Física tais como a óptica na construção da luneta, e a mecânica no trabalho com escalas e medidas, e ao utilizar uma luminária para representar o Sol na questão do eclipse, e de outras disciplinas como a Matemática na transformação de unidades, regras de três; Artes na modelagem ou desenho dos planetas; a própria História com relação à busca pela origem do universo, e a Informática que possibilita a busca mais rápida por informações, além de permitir simulações e visualizações de imagens importantes. Acredita-se que a Astronomia é importante no processo ensino aprendizagem, pois permite a discussão de temas curiosos como, por exemplo, a origem do universo, viagens espaciais a existência ou não de vida em outros planetas, além de temas atuais como as novas tecnologias.
Quantum electrodynamics, high-resolution spectroscopy and fundamental constants
NASA Astrophysics Data System (ADS)
Karshenboim, Savely G.; Ivanov, Vladimir G.
2017-01-01
Recent progress in high-resolution spectroscopy has delivered us a variety of accurate optical results, which can be used for the determination of the atomic fundamental constants and for constraining their possible time variation. We present a brief overview of the results discussing in particular, the determination of the Rydberg constant, the relative atomic weight of the electron and proton, their mass ratio and the fine structure constant. Many individual results on those constants are obtained with use of quantum electrodynamics, and we discuss which sectors of QED are involved. We derive constraints on a possible time variation of the fine structure constants and me/mp.
Vibrational Spectroscopy of Ionic Liquids.
Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C
2017-01-04
Vibrational spectroscopy has continued use as a powerful tool to characterize ionic liquids since the literature on room temperature molten salts experienced the rapid increase in number of publications in the 1990's. In the past years, infrared (IR) and Raman spectroscopies have provided insights on ionic interactions and the resulting liquid structure in ionic liquids. A large body of information is now available concerning vibrational spectra of ionic liquids made of many different combinations of anions and cations, but reviews on this literature are scarce. This review is an attempt at filling this gap. Some basic care needed while recording IR or Raman spectra of ionic liquids is explained. We have reviewed the conceptual basis of theoretical frameworks which have been used to interpret vibrational spectra of ionic liquids, helping the reader to distinguish the scope of application of different methods of calculation. Vibrational frequencies observed in IR and Raman spectra of ionic liquids based on different anions and cations are discussed and eventual disagreements between different sources are critically reviewed. The aim is that the reader can use this information while assigning vibrational spectra of an ionic liquid containing another particular combination of anions and cations. Different applications of IR and Raman spectroscopies are given for both pure ionic liquids and solutions. Further issues addressed in this review are the intermolecular vibrations that are more directly probed by the low-frequency range of IR and Raman spectra and the applications of vibrational spectroscopy in studying phase transitions of ionic liquids.
Vibration control of rotor shaft
NASA Technical Reports Server (NTRS)
Nonami, K.
1985-01-01
Suppression of flexural forced vibration or the self-excited vibration of a rotating shaft system not by passive elements but by active elements is described. The distinctive feature of this method is not to dissipate the vibration energy but to provide the force cancelling the vibration displacement and the vibration velocity through the bearing housing in rotation. Therefore the bearings of this kind are appropriately named Active Control Bearings. A simple rotor system having one disk at the center of the span on flexible supports is investigated in this paper. The actuators of the electrodynamic transducer are inserted in the sections of the bearing housing. First, applying the optimal regulator of optimal control theory, the flexural vibration control of the rotating shaft and the vibration control of support systems are performed by the optimal state feedback system using these actuators. Next, the quasi-modal control based on a modal analysis is applied to this rotor system. This quasi-modal control system is constructed by means of optimal velocity feedback loops. The differences between optimal control and quasi-modal control are discussed and their merits and demerits are made clear. Finally, the experiments are described concerning only the optimal regulator method.
High speed image correlation for vibration analysis
NASA Astrophysics Data System (ADS)
Siebert, T.; Wood, R.; Splitthof, K.
2009-08-01
Digital speckle correlation techniques have already been successfully proven to be an accurate displacement analysis tool for a wide range of applications. With the use of two cameras, three dimensional measurements of contours and displacements can be carried out. With a simple setup it opens a wide range of applications. Rapid new developments in the field of digital imaging and computer technology opens further applications for these measurement methods to high speed deformation and strain analysis, e.g. in the fields of material testing, fracture mechanics, advanced materials and component testing. The high resolution of the deformation measurements in space and time opens a wide range of applications for vibration analysis of objects. Since the system determines the absolute position and displacements of the object in space, it is capable of measuring high amplitudes and even objects with rigid body movements. The absolute resolution depends on the field of view and is scalable. Calibration of the optical setup is a crucial point which will be discussed in detail. Examples of the analysis of harmonic vibration and transient events from material research and industrial applications are presented. The results show typical features of the system.
Active Piezoelectric Vibration Control of Subscale Composite Fan Blades
NASA Technical Reports Server (NTRS)
Duffy, Kirsten P.; Choi, Benjamin B.; Provenza, Andrew J.; Min, James B.; Kray, Nicholas
2012-01-01
As part of the Fundamental Aeronautics program, researchers at NASA Glenn Research Center (GRC) are investigating new technologies supporting the development of lighter, quieter, and more efficient fans for turbomachinery applications. High performance fan blades designed to achieve such goals will be subjected to higher levels of aerodynamic excitations which could lead to more serious and complex vibration problems. Piezoelectric materials have been proposed as a means of decreasing engine blade vibration either through a passive damping scheme, or as part of an active vibration control system. For polymer matrix fiber composite blades, the piezoelectric elements could be embedded within the blade material, protecting the brittle piezoceramic material from the airflow and from debris. To investigate this idea, spin testing was performed on two General Electric Aviation (GE) subscale composite fan blades in the NASA GRC Dynamic Spin Rig Facility. The first bending mode (1B) was targeted for vibration control. Because these subscale blades are very thin, the piezoelectric material was surface-mounted on the blades. Three thin piezoelectric patches were applied to each blade two actuator patches and one small sensor patch. These flexible macro-fiber-composite patches were placed in a location of high resonant strain for the 1B mode. The blades were tested up to 5000 rpm, with patches used as sensors, as excitation for the blade, and as part of open- and closed-loop vibration control. Results show that with a single actuator patch, active vibration control causes the damping ratio to increase from a baseline of 0.3% critical damping to about 1.0% damping at 0 RPM. As the rotor speed approaches 5000 RPM, the actively controlled blade damping ratio decreases to about 0.5% damping. This occurs primarily because of centrifugal blade stiffening, and can be observed by the decrease in the generalized electromechanical coupling with rotor speed.
Microgravity Active Vibration Isolation System on Parabolic Flights
NASA Astrophysics Data System (ADS)
Dong, Wenbo; Pletser, Vladimir; Yang, Yang
2016-07-01
The Microgravity Active Vibration Isolation System (MAIS) aims at reducing on-orbit vibrations, providing a better controlled lower gravity environment for microgravity physical science experiments. The MAIS will be launched on Tianzhou-1, the first cargo ship of the China Manned Space Program. The principle of the MAIS is to suspend with electro-magnetic actuators a scientific payload, isolating it from the vibrating stator. The MAIS's vibration isolation capability is frequency-dependent and a decrease of vibration of about 40dB can be attained. The MAIS can accommodate 20kg of scientific payload or sample unit, and provide 30W of power and 1Mbps of data transmission. The MAIS is developed to support microgravity scientific experiments on manned platforms in low earth orbit, in order to meet the scientific requirements for fluid physics, materials science, and fundamental physics investigations, which usually need a very quiet environment, increasing their chances of success and their scientific outcomes. The results of scientific experiments and technology tests obtained with the MAIS will be used to improve future space based research. As the suspension force acting on the payload is very small, the MAIS can only be operative and tested in a weightless environment. The 'Deutsches Zentrum für Luft- und Raumfahrt e.V.' (DLR, German Aerospace Centre) granted a flight opportunity to the MAIS experiment to be tested during its 27th parabolic flight campaign of September 2015 performed on the A310 ZERO-G aircraft managed by the French company Novespace, a subsidiary of the 'Centre National d'Etudes Spatiales' (CNES, French Space Agency). The experiment results confirmed that the 6 degrees of freedom motion control technique was effective, and that the vibration isolation performance fulfilled perfectly the expectations based on theoretical analyses and simulations. This paper will present the design of the MAIS and the experiment results obtained during the
Accurately measuring volcanic plume velocity with multiple UV spectrometers
Williams-Jones, Glyn; Horton, Keith A.; Elias, Tamar; Garbeil, Harold; Mouginis-Mark, Peter J; Sutton, A. Jeff; Harris, Andrew J. L.
2006-01-01
A fundamental problem with all ground-based remotely sensed measurements of volcanic gas flux is the difficulty in accurately measuring the velocity of the gas plume. Since a representative wind speed and direction are used as proxies for the actual plume velocity, there can be considerable uncertainty in reported gas flux values. Here we present a method that uses at least two time-synchronized simultaneously recording UV spectrometers (FLYSPECs) placed a known distance apart. By analyzing the time varying structure of SO2 concentration signals at each instrument, the plume velocity can accurately be determined. Experiments were conducted on Kīlauea (USA) and Masaya (Nicaragua) volcanoes in March and August 2003 at plume velocities between 1 and 10 m s−1. Concurrent ground-based anemometer measurements differed from FLYSPEC-measured plume speeds by up to 320%. This multi-spectrometer method allows for the accurate remote measurement of plume velocity and can therefore greatly improve the precision of volcanic or industrial gas flux measurements.
Accurate genome relative abundance estimation based on shotgun metagenomic reads.
Xia, Li C; Cram, Jacob A; Chen, Ting; Fuhrman, Jed A; Sun, Fengzhu
2011-01-01
Accurate estimation of microbial community composition based on metagenomic sequencing data is fundamental for subsequent metagenomics analysis. Prevalent estimation methods are mainly based on directly summarizing alignment results or its variants; often result in biased and/or unstable estimates. We have developed a unified probabilistic framework (named GRAMMy) by explicitly modeling read assignment ambiguities, genome size biases and read distributions along the genomes. Maximum likelihood method is employed to compute Genome Relative Abundance of microbial communities using the Mixture Model theory (GRAMMy). GRAMMy has been demonstrated to give estimates that are accurate and robust across both simulated and real read benchmark datasets. We applied GRAMMy to a collection of 34 metagenomic read sets from four metagenomics projects and identified 99 frequent species (minimally 0.5% abundant in at least 50% of the data-sets) in the human gut samples. Our results show substantial improvements over previous studies, such as adjusting the over-estimated abundance for Bacteroides species for human gut samples, by providing a new reference-based strategy for metagenomic sample comparisons. GRAMMy can be used flexibly with many read assignment tools (mapping, alignment or composition-based) even with low-sensitivity mapping results from huge short-read datasets. It will be increasingly useful as an accurate and robust tool for abundance estimation with the growing size of read sets and the expanding database of reference genomes.
An empirical rule relating fundamental to harmonic frequencies
NASA Astrophysics Data System (ADS)
Miller, Kenneth J.; Ganda-Kesuma, Fransiska S.
1991-02-01
An empirical approach to estimate harmonic frequencies from experimental fundamental vibrational frequencies is presented. It is based on a partitioning of the eigenvectors of each normal mode, s = 1, 2, 3,…, 3 N - 6, into internal motion components involving bond stretching, Bs, angle bending, As, torsional motion, Ts, and out-of-plane motion, Os. This is called the BATO method. An empirical function, f s = (1250B s + 2000A s + 1300T s + 1600O s) Å, is developed to assign relative anharmonic contributions to each kind of internal motion by relating harmonic frequencies, ωs, to the anharmonic or fundamental frequencies, νs, with νs = ωs + 2 χs = ωs(1 - fsωs). The anharmonic states are assumed to satisfy a Morse expression, ν sn = ω s(n s + {1}/{2}) + χ s(n s + {1}/{2}) 2, where ns = 0, 1, 2, ⋯ denote the vibrational states of mode s. The coefficients of fs are calibrated with the available experimental data for νsexp and ωsexp with isotopes of 19 molecules which contain bonds and groups required for biochemical applications. The objective is to use the BATO method to estimate empirical harmonic frequencies, ωsemp, from experimental fundamental frequencies, νsexp, in a self-consistent procedure in cases where ωsemp are not known. Of the 394 states in 19 molecules studied, the method yields results within 10 cm -1 for 232 states. 11-20 cm -1 for 86 states, 21-30 cm -1 for 45 states, 31-40 cm -1 for 19 states, 41-60 cm -1 for 9 states, and 61-81 cm -1 for 3 states tested. Detailed results are presented for the molecule containing the most common isotope. The maximum errors occur in C 2H 6 and C 3H 8, for which the method tends to overestimate the CH stretch in several cases where the comparison is against Dennison's rule. All molecules studied satisfy the product and summation rules well.
A lead-free piezoelectric transformer in radial vibration modes.
Guo, Mingsen; Lin, D M; Lam, K H; Wang, S; Chan, Helen L W; Zhao, X Z
2007-03-01
In this study, a disk-shaped piezoelectric transformer was fabricated using lead-free (K,Na)NbO(3)-based ceramics with high mechanical quality factor. The transformer can operate in the fundamental or the third radial vibration mode. The transformer is poled along the thickness direction. The top surface is covered by ring/dot silver electrodes separated by an annular gap which serve as the input and output parts of the transformer, respectively. The bottom surface, fully covered with a silver electrode, is grounded as a common electrode. The dimensions of the top ring/dot electrodes are designed such that the third radial vibration mode can be strongly excited. The electrical properties of the transformer with diameter of 34.2 mm and thickness of 1.9 mm were measured. For a temperature rise of 35 degrees C, the transformer has a maximum output power of 12 W. With the matching load, its maximum efficiency is >95%, and maximum voltage gains are 6.5 and 3.9 for the fundamental and the third radial vibration modes, respectively. It has potential to be used in power supply units and other electronic circuits.
Vibrational overtone spectrum of matrix isolated cis, cis-HOONO.
Zhang, Xu; Nimlos, Mark R; Ellison, G Barney; Varner, Mychel E; Stanton, John F
2007-05-07
Cis, cis-peroxynitrous acid is known to be an intermediate in atmospheric reactions between OH and NO2 as well as HOO and NO. The infrared absorption spectra of matrix-isolated cc-HOONO and cc-DOONO in argon have been observed in the range of 500-8000 cm-1. Besides the seven fundamental vibrational modes that have been assigned earlier for this molecule [Zhang et al., J. Chem. Phys. 124, 084305 (2006)], more than 50 of the overtone and combination bands have been observed for cc-HOONO and cc-DOONO. Ab initio CCSD(T)/atomic natural orbital anharmonic force field calculations were used to help guide the assignments. Based on this study of the vibrational overtone transitions of cis, cis-HOONO that go as high as 8000 cm-1 and the earlier paper on the vibrational fundamentals, we conclude that the CCSD(T)/ANO anharmonic frequencies seem to correct to +/-35 cm-1. The success of the theoretically predicted anharmonic frequencies {upsilon} in assigning overtone spectra of HOONO up to 8000 cm-1 suggests that the CCSD(T)/ANO method is producing a reliable potential energy surface for this reactive molecule.
Sensory Integration during Vibration of Postural Muscle Tendons When Pointing to a Memorized Target.
Teasdale, Normand; Furmanek, Mariusz P; Germain Robitaille, Mathieu; de Oliveira, Fabio Carlos Lucas; Simoneau, Martin
2016-01-01
Vibrating ankle muscles in freely standing persons elicits a spatially oriented postural response. For instance, vibrating the Achilles tendons induces a backward displacement of the body while vibrating the tibialis anterior muscle tendons induces a forward displacement. These displacements have been called vibration induced falling (VIF) responses and they presumably are automatic. Because of the long delay between the onset of the vibration and the onset of the VIF (about 700 ms), and the widespread cortical activation following vibration, there is a possibility that the sensory signals available before the VIF can be used by the central nervous system to plan a hand pointing action. This study examined this suggestion. Ten healthy young participants stood on a force platform and initially were trained to point with and without vision to a target located in front of them. Then, they were exposed to conditions with vibration of the Achilles tendons or tibialis anterior muscle tendons and pointed at the target without vision. The vibration stopped between each trial. Trials with vision (without vibration) were given every five trials to maintain an accurate perception of the target's spatial location. Ankle vibrations did not have an effect on the position of the center of foot pressure (COP) before the onset of the pointing actions. Furthermore, reaction and movement times of the pointing actions were unaffected by the vibration. The hypotheses were that if proprioceptive information evoked by ankle vibrations alters the planning of a pointing action, the amplitude of the movement should scale according to the muscle tendons that are vibrated. For Achilles tendon vibration, participants undershot the target indicating the planning of the pointing action was influenced by the vibration-evoked proprioceptive information (forward displacement of the body). When the tibialis anterior were vibrated (backward displacement of the body), however, shorter movements were
Sensory Integration during Vibration of Postural Muscle Tendons When Pointing to a Memorized Target
Teasdale, Normand; Furmanek, Mariusz P.; Germain Robitaille, Mathieu; de Oliveira, Fabio Carlos Lucas; Simoneau, Martin
2017-01-01
Vibrating ankle muscles in freely standing persons elicits a spatially oriented postural response. For instance, vibrating the Achilles tendons induces a backward displacement of the body while vibrating the tibialis anterior muscle tendons induces a forward displacement. These displacements have been called vibration induced falling (VIF) responses and they presumably are automatic. Because of the long delay between the onset of the vibration and the onset of the VIF (about 700 ms), and the widespread cortical activation following vibration, there is a possibility that the sensory signals available before the VIF can be used by the central nervous system to plan a hand pointing action. This study examined this suggestion. Ten healthy young participants stood on a force platform and initially were trained to point with and without vision to a target located in front of them. Then, they were exposed to conditions with vibration of the Achilles tendons or tibialis anterior muscle tendons and pointed at the target without vision. The vibration stopped between each trial. Trials with vision (without vibration) were given every five trials to maintain an accurate perception of the target’s spatial location. Ankle vibrations did not have an effect on the position of the center of foot pressure (COP) before the onset of the pointing actions. Furthermore, reaction and movement times of the pointing actions were unaffected by the vibration. The hypotheses were that if proprioceptive information evoked by ankle vibrations alters the planning of a pointing action, the amplitude of the movement should scale according to the muscle tendons that are vibrated. For Achilles tendon vibration, participants undershot the target indicating the planning of the pointing action was influenced by the vibration-evoked proprioceptive information (forward displacement of the body). When the tibialis anterior were vibrated (backward displacement of the body), however, shorter movements were
Vibration of beams and plate strips with three-dimensional flexibility
NASA Technical Reports Server (NTRS)
Stein, Manuel
1989-01-01
Studies making use of higher vibration modes and frequencies have indicated a need for a more accurate beam theory. Equations of motion are developed here that give a more accurate representation of the dynamic behavior of a beam than conventional beam theory. Results are obtained using these equations for the natural vibrations of simply-supported aluminum beams of rectangular cross-sections. These results are compared to results from conventional beam theory, and they are examined to identify where various effects are important.
Feasibility of coded vibration in a vibro-ultrasound system for tissue elasticity measurement.
Zhao, Jinxin; Wang, Yuanyuan; Yu, Jinhua; Li, Tianjie; Zheng, Yong-Ping
2016-07-01
The ability of various methods for elasticity measurement and imaging is hampered by the vibration amplitude on biological tissues. Based on the inference that coded excitation will improve the performance of the cross-correlation function of the tissue displacement waves, the idea of exerting encoded external vibration on tested samples for measuring its elasticity is proposed. It was implemented by integrating a programmable vibration generation function into a customized vibro-ultrasound system to generate Barker coded vibration for elasticity measurement. Experiments were conducted on silicone phantoms and porcine muscles. The results showed that coded excitation of the vibration enhanced the accuracy and robustness of the elasticity measurement especially in low signal-to-noise ratio scenarios. In the phantom study, the measured shear modulus values with coded vibration had an R(2 )= 0.993 linear correlation to that of referenced indentation, while for single-cycle pulse the R(2) decreased to 0.987. In porcine muscle study, the coded vibration also obtained a shear modulus value which is more accurate than the single-cycle pulse by 0.16 kPa and 0.33 kPa at two different depths. These results demonstrated the feasibility and potentiality of the coded vibration for enhancing the quality of elasticity measurement and imaging.
Sensors and sensory processing for airborne vibrations in silk moths and honeybees.
Ai, Hiroyuki
2013-07-19
Insects use airborne vibrations caused by their own movements to control their behaviors and produce airborne vibrations to communicate with conspecific mates. In this review, I use two examples to introduce how insects use airborne vibrations to accurately control behavior or for communication. The first example is vibration-sensitive sensilla along the wing margin that stabilize wingbeat frequency. There are two specialized sensors along the wing margin for detecting the airborne vibration caused by wingbeats. The response properties of these sensors suggest that each sensor plays a different role in the control of wingbeats. The second example is Johnston's organ that contributes to regulating flying speed and perceiving vector information about food sources to hive-mates. There are parallel vibration processing pathways in the central nervous system related with these behaviors, flight and communication. Both examples indicate that the frequency of airborne vibration are filtered on the sensory level and that on the central nervous system level, the extracted vibration signals are integrated with other sensory signals for executing quick adaptive motor response.
Implementing fundamental care in clinical practice.
Feo, Rebecca; Conroy, Tiffany; Alderman, Jan; Kitson, Alison
2017-04-05
Modern healthcare environments are becoming increasingly complex. Delivering high-quality fundamental care in these environments is challenging for nurses and has been the focus of recent media, policy, academic and public scrutiny. Much of this attention arises from evidence that fundamental care is being neglected or delivered inadequately. There are an increasing number of standards and approaches to the delivery of fundamental care, which may result in confusion and additional documentation for nurses to complete. This article provides nurses with an approach to reframe their thinking about fundamental care, to ensure they meet patients' care needs and deliver holistic, person-centred care.
49 CFR 178.819 - Vibration test.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 49 Transportation 3 2014-10-01 2014-10-01 false Vibration test. 178.819 Section 178.819... Vibration test. (a) General. The vibration test must be conducted for the qualification of all rigid IBC design types. Flexible IBC design types must be capable of withstanding the vibration test. (b)...
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration. 33.33 Section 33.33 Aeronautics... STANDARDS: AIRCRAFT ENGINES Design and Construction; Reciprocating Aircraft Engines § 33.33 Vibration. The... vibration and without imparting excessive vibration forces to the aircraft structure....
14 CFR 33.43 - Vibration test.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration test. 33.43 Section 33.43... STANDARDS: AIRCRAFT ENGINES Block Tests; Reciprocating Aircraft Engines § 33.43 Vibration test. (a) Each engine must undergo a vibration survey to establish the torsional and bending vibration...
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 33.33 Section 33.33 Aeronautics... STANDARDS: AIRCRAFT ENGINES Design and Construction; Reciprocating Aircraft Engines § 33.33 Vibration. The... vibration and without imparting excessive vibration forces to the aircraft structure....
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration. 33.33 Section 33.33 Aeronautics... STANDARDS: AIRCRAFT ENGINES Design and Construction; Reciprocating Aircraft Engines § 33.33 Vibration. The... vibration and without imparting excessive vibration forces to the aircraft structure....
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration. 33.63 Section 33.63 Aeronautics... STANDARDS: AIRCRAFT ENGINES Design and Construction; Turbine Aircraft Engines § 33.63 Vibration. Each engine... because of vibration and without imparting excessive vibration forces to the aircraft structure....
49 CFR 178.819 - Vibration test.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 49 Transportation 3 2012-10-01 2012-10-01 false Vibration test. 178.819 Section 178.819... Vibration test. (a) General. The vibration test must be conducted for the qualification of all rigid IBC design types. Flexible IBC design types must be capable of withstanding the vibration test. (b)...
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 33.63 Section 33.63 Aeronautics... STANDARDS: AIRCRAFT ENGINES Design and Construction; Turbine Aircraft Engines § 33.63 Vibration. Each engine... because of vibration and without imparting excessive vibration forces to the aircraft structure....