Diatomic gasdynamic lasers.

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1972-01-01

Predictions from a numerical model of the vibrational relaxation of anharmonic diatomic oscillators in supersonic expansions are used to show the extent to which the small anharmonicity of gases like CO can cause significant overpopulations of upper vibrational states. When mixtures of CO and N2 are considered, radiative gain on many of the vibration-rotation transitions of CO is predicted. Experiments are described that qualitatively verify the predictions by demonstrating laser oscillation in CO-N2 expansions. The resulting CO-N2 gasdynamic laser displays performance characteristics that equal or exceed those of similar CO2 lasers.

Diatomic gasdynamic lasers

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1971-01-01

Predictions from a numerical model of the vibrational relaxation of anharmonic diatomic oscillators in supersonic expansions are used to show the extent to which the small anharmonicity of gases like CO can cause significant overpopulations of upper vibrational states. When mixtures of CO and N2 are considered, radiative gain on many of the vibration-rotation transitions of CO is predicted. Experiments are described that qualitatively verify the predictions by demonstrating laser oscillation in CO-N2 expansions. The resulting CO-N2 gasdynamic laser displays performance characteristics that equal or exceed those of similar CO2 lasers.

What is the most effective posture to conduct vibration from the lower to the upper extremities during whole-body vibration exercise?

PubMed Central

Tsukahara, Yuka; Iwamoto, Jun; Iwashita, Kosui; Shinjo, Takuma; Azuma, Koichiro; Matsumoto, Hideo

2016-01-01

Background Whole-body vibration (WBV) exercise is widely used for training and rehabilitation. However, the optimal posture for training both the upper and lower extremities simultaneously remains to be established. Objectives The objective of this study was to search for an effective posture to conduct vibration from the lower to the upper extremities while performing WBV exercises without any adverse effects. Methods Twelve healthy volunteers (age: 22–34 years) were enrolled in the study. To measure the magnitude of vibration, four accelerometers were attached to the upper arm, back, thigh, and calf of each subject. Vibrations were produced using a WBV platform (Galileo 900) with an amplitude of 4 mm at two frequencies, 15 and 30 Hz. The following three postures were examined: posture A, standing posture with the knees flexed at 30°; posture B, crouching position with no direct contact between the knees and elbows; and posture C, crouching position with direct contact between the knees and elbows. The ratio of the magnitude of vibration at the thigh, back, and upper arm relative to that at the calf was used as an index of vibration conduction. Results Posture B was associated with a greater magnitude of vibration to the calf than posture A at 15 Hz, and postures B and C were associated with greater magnitudes of vibration than posture A at 30 Hz. Posture C was associated with a vibration conduction to the upper arm that was 4.62 times and 8.26 times greater than that for posture A at 15 and 30 Hz, respectively. Conclusion This study revealed that a crouching position on a WBV platform with direct contact between the knees and elbows was effective for conducting vibration from the lower to the upper extremities. PMID:26793008

An Experimental and Quantum Chemical Study of the Electronic Spectrum of the HBCl Free Radical

NASA Astrophysics Data System (ADS)

Gharaibeh, Mohammed A.; Nagarajan, Ramya; Clouthier, Dennis J.; Tarroni, Ricardo

2012-06-01

The chloroborane (HBCl) free radical has a complex electronic spectrum in the visible that involves a transition from a bent ground state to a linear excited state, both of which are the Renner-Teller components of what would be a ^2π state at linearity. We have used the synchronous-scan LIF and single vibronic level emission techniques to untangle the many overlapping vibronic bands and assign upper state K quantum numbers for jet-cooled HBCl and DBCl. The radicals were produced in a pulsed electric discharge jet using a precursor mixture of boron trichloride (BCl_3) and hydrogen or deuterium in high-pressure argon. As an important aid to understanding the data, the ground and excited state high level ab initio potential energy surfaces (PES) have been calculated and the vibrational levels obtained variationally. The calculated ground state levels are in excellent agreement with the emission data validating the quality of the PES. Aside from an approximately 100 cm-1 shift in the upper state electronic term value, the calculated excited state vibrational energy levels and isotope shifts match the LIF data very well, allowing the observed bands to be assigned with confidence.

N2 state population in Titan's atmosphere

NASA Astrophysics Data System (ADS)

Lavvas, P.; Yelle, R. V.; Heays, A. N.; Campbell, L.; Brunger, M. J.; Galand, M.; Vuitton, V.

2015-11-01

We present a detailed model for the vibrational population of all non pre-dissociating excited electronic states of N2, as well as for the ground and ionic states, in Titan's atmosphere. Our model includes the detailed energy deposition calculations presented in the past (Lavvas, P. et al. [2011]. Icarus 213(1), 233-251) as well as the more recent developments in the high resolution N2 photo-absorption cross sections that allow us to calculate photo-excitation rates for different vibrational levels of singlet nitrogen states, and provide information for their pre-dissociation yields. In addition, we consider the effect of collisions and chemical reactions in the population of the different states. Our results demonstrate that above 600 km altitude, collisional processes are efficient only for a small sub-set of the excited states limited to the A and W(ν = 0) triplet states, and to a smaller degree to the a‧ singlet state. In addition, we find that a significant population of vibrationally excited ground state N2 survives in Titan's upper atmosphere. Our calculations demonstrate that this hot N2 population can improve the agreement between models and observations for the emission of the c4‧ state that is significantly affected by resonant scattering. Moreover we discuss the potential implications of the vibrationally excited population on the ionospheric densities.

Laboratory Kinetic Studies of OH and CO2 Relevant to Upper Atmospheric Radiation Balance

NASA Technical Reports Server (NTRS)

Nelson, David D.; Villalta, Peter; Zahniser, Mark S.; Kolb, Charles E.

1997-01-01

The purpose of this project was to quantify the rates of two processes which are crucial to our understanding of radiative energy balance in the upper atmosphere. The first process is radiative emission from vibrationally hot OH radicals following the H + O3 reaction in the upper mesosphere. The importance of this process depends strongly on the OH radiative emission coefficients. Our goal was to measure the OH permanent dipole moment in excited vibrational states and to use these measurements to construct an improved OH dipole moment function and improved radiative emission coefficients. Significant progress was made on these experiments including the construction of a supersonic jet source for vibrationally excited OH radicals. Unfortunately, our efforts to transport the OH radicals into a second lower pressure vacuum chamber were not successful, and we were unable to make improved dipole moment measurements for OH. The second key kinetic process which we attempted to quantify during this project is the rate of relaxation of bend-excited CO2 by oxygen atoms. Since excitation of the bending vibrational mode of CO2 is the major cooling mechanism in the upper mesosphere/lower thermosphere, the cooling rate of this region depends crucially on the rate of energy transfer out of this state. It is believed that the most efficient transfer mechanism is via atomic oxygen but the rate for this process has not been directly measured in the laboratory at appropriate temperatures and even the room temperature rate remains controversial. We attempted to directly measure the relaxation rate Of CO2 (010) by oxygen atoms using the discharge flow technique. This experiment was set up at Aerodyne Research. Again, significant progress was achieved in this experiment. A hot CO2 source was set up, bend excited CO2 was detected and the rate of relaxation of bend excited CO2 by He atoms was measured. Unfortunately, the project ran out of time before the oxygen atom kinetic studies could be implemented.

Analysis of the A ∼ - X ∼ bands of the ethynyl radical near 1.48 μ m and re-evaluation of X ∼ state energies

NASA Astrophysics Data System (ADS)

Le, A. T.; Gross, Eisen C.; Hall, Gregory E.; Sears, Trevor J.

2018-07-01

We report the observation and analysis of spectra in part of the near-infrared spectrum of C2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the ground X ˜ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v2 = 1 and the 2Σ+ component of v2 = 2 . Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.

Analysis of the $$\\tilde{A}$$ - $$\\tilde{X}$$ bands of the Ethynyl Radical near 1.48 μ-m and Re-evaluation of ~X State Energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Le, A T.; Gross, Eisen C.; Hall, Gregory E.

Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C 2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the groundmore » $$\\tilde{X}$$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v 2 = 1 and the 2Σ+ component of v 2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.« less

Analysis of the $$\\tilde{A}$$ - $$\\tilde{X}$$ bands of the Ethynyl Radical near 1.48 μ-m and Re-evaluation of ~X State Energies

DOE PAGES

Le, A T.; Gross, Eisen C.; Hall, Gregory E.; ...

2018-05-15

Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C 2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the groundmore » $$\\tilde{X}$$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v 2 = 1 and the 2Σ+ component of v 2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.« less

Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: a simulated annealing based approach.

PubMed

Shandilya, Bhavesh K; Sen, Shrabani; Sahoo, Tapas; Talukder, Srijeeta; Chaudhury, Pinaki; Adhikari, Satrajit

2013-07-21

The selective control of O-H/O-D bond dissociation in reduced dimensionality model of HOD molecule has been explored through IR+UV femtosecond pulses. The IR pulse has been optimized using simulated annealing stochastic approach to maximize population of a desired low quanta vibrational state. Since those vibrational wavefunctions of the ground electronic states are preferentially localized either along the O-H or O-D mode, the femtosecond UV pulse is used only to transfer vibrationally excited molecule to the repulsive upper surface to cleave specific bond, O-H or O-D. While transferring from the ground electronic state to the repulsive one, the optimization of the UV pulse is not necessarily required except specific case. The results so obtained are analyzed with respect to time integrated flux along with contours of time evolution of probability density on excited potential energy surface. After preferential excitation from [line]0, 0> ([line]m, n> stands for the state having m and n quanta of excitations in O-H and O-D mode, respectively) vibrational level of the ground electronic state to its specific low quanta vibrational state ([line]1, 0> or [line]0, 1> or [line]2, 0> or [line]0, 2>) by using optimized IR pulse, the dissociation of O-D or O-H bond through the excited potential energy surface by UV laser pulse appears quite high namely, 88% (O-H ; [line]1, 0>) or 58% (O-D ; [line]0, 1>) or 85% (O-H ; [line]2, 0>) or 59% (O-D ; [line]0, 2>). Such selectivity of the bond breaking by UV pulse (if required, optimized) together with optimized IR one is encouraging compared to the normal pulses.

Hyperspherical nuclear motion of H3 + and D3 + in the electronic triplet state, a 3Sigmau +.

PubMed

Ferreira, Tiago Mendes; Alijah, Alexander; Varandas, António J C

2008-02-07

The potential energy surface of H(3) (+) in the lowest electronic triplet state, a (3)Sigma(u) (+), shows three equivalent minima at linear nuclear configurations. The vibrational levels of H(3) (+) and D(3) (+) on this surface can therefore be described as superimposed linear molecule states. Owing to such a superposition, each vibrational state characterized by quantum numbers of an isolated linear molecule obtains a one- and a two-dimensional component. The energy splittings between the two components have now been rationalized within a hyperspherical picture. It is shown that nuclear motion along the hyperangle phi mainly accounts for the splittings and provides upper bounds. This hyperspherical motion can be considered an extension of the antisymmetric stretching motion of the individual linear molecule.

Vibrations transmitted from human hands to upper arm, shoulder, back, neck, and head.

PubMed

Xu, Xueyan S; Dong, Ren G; Welcome, Daniel E; Warren, Christopher; McDowell, Thomas W; Wu, John Z

2017-12-01

Some powered hand tools can generate significant vibration at frequencies below 25 Hz. It is not clear whether such vibration can be effectively transmitted to the upper arm, shoulder, neck, and head and cause adverse effects in these substructures. The objective of this study is to investigate the vibration transmission from the human hands to these substructures. Eight human subjects participated in the experiment, which was conducted on a 1-D vibration test system. Unlike many vibration transmission studies, both the right and left hand-arm systems were simultaneously exposed to the vibration to simulate a working posture in the experiment. A laser vibrometer and three accelerometers were used to measure the vibration transmitted to the substructures. The apparent mass at the palm of each hand was also measured to help in understanding the transmitted vibration and biodynamic response. This study found that the upper arm resonance frequency was 7-12 Hz, the shoulder resonance was 7-9 Hz, and the back and neck resonances were 6-7 Hz. The responses were affected by the hand-arm posture, applied hand force, and vibration magnitude. The transmissibility measured on the upper arm had a trend similar to that of the apparent mass measured at the palm in their major resonant frequency ranges. The implications of the results are discussed. Musculoskeletal disorders (MSDs) of the shoulder and neck are important issues among many workers. Many of these workers use heavy-duty powered hand tools. The combined mechanical loads and vibration exposures are among the major factors contributing to the development of MSDs. The vibration characteristics of the body segments examined in this study can be used to help understand MSDs and to help develop more effective intervention methods.

Vibrations transmitted from human hands to upper arm, shoulder, back, neck, and head

PubMed Central

Xu, Xueyan S.; Dong, Ren G.; Welcome, Daniel E.; Warren, Christopher; McDowell, Thomas W.; Wu, John Z.

2016-01-01

Some powered hand tools can generate significant vibration at frequencies below 25 Hz. It is not clear whether such vibration can be effectively transmitted to the upper arm, shoulder, neck, and head and cause adverse effects in these substructures. The objective of this study is to investigate the vibration transmission from the human hands to these substructures. Eight human subjects participated in the experiment, which was conducted on a 1-D vibration test system. Unlike many vibration transmission studies, both the right and left hand-arm systems were simultaneously exposed to the vibration to simulate a working posture in the experiment. A laser vibrometer and three accelerometers were used to measure the vibration transmitted to the substructures. The apparent mass at the palm of each hand was also measured to help in understanding the transmitted vibration and biodynamic response. This study found that the upper arm resonance frequency was 7–12 Hz, the shoulder resonance was 7–9 Hz, and the back and neck resonances were 6–7 Hz. The responses were affected by the hand-arm posture, applied hand force, and vibration magnitude. The transmissibility measured on the upper arm had a trend similar to that of the apparent mass measured at the palm in their major resonant frequency ranges. The implications of the results are discussed. Relevance to industry Musculoskeletal disorders (MSDs) of the shoulder and neck are important issues among many workers. Many of these workers use heavy-duty powered hand tools. The combined mechanical loads and vibration exposures are among the major factors contributing to the development of MSDs. The vibration characteristics of the body segments examined in this study can be used to help understand MSDs and to help develop more effective intervention methods. PMID:29123326

Far-infrared vibration--rotation-tunneling spectroscopy of Ar--NH sub 3 : Intermolecular vibrations and effective angular potential energy surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmuttenmaer, C.A.; Cohen, R.C.; Loeser, J.G.

Two new intermolecular vibration--rotation-tunneling (VRT) bands of Ar--NH{sub 3} have been measured using tunable far infrared laser spectroscopy. We have unambiguously assigned these and a previously measured FIR band (Gwo {ital et} {ital al}., Mol. Phys. {bold 71}, 453 (1990)) as {Pi}(1{sub 0}, {ital n}=0){l arrow}{Sigma}(0{sub 0}, {ital n}=0), {Sigma}(1{sub 0}, {ital n}=0){l arrow}{Sigma}(0{sub 0}, {ital n}=0), and {Sigma}(0{sub 0}, {ital n}=1){l arrow}{Sigma}(0{sub 0}, {ital n}=0). The three upper states of these are found to be strongly mixed by anisotropy and Coriolis effects. A simultaneous least squares fit of all transitions has yielded vibrational frequencies, rotational and centrifugal distortion constants,more » and a Coriolis parameter as well as quadrupole hyperfine coupling constants for the upper states. An effective angular potential energy surface for Ar--NH{sub 3} in its lowest stretching state has been determined from these data, after explicitly accounting for the effects of bend stretch interactions. Features of the surface include a global minimum at the near T-shaped configuration ({theta}=90{degree}), a 30 cm{sup {minus}1} to 60 cm{sup {minus}1} barrier to rotation at {theta}=180{degree} (or 0{degree}), and a very low barrier or possibly a secondary minimum at {theta}=0{degree} (or 180{degree}). Both attractive and repulsive interactions are shown to contribute significantly to the anisotropic forces in the complex. Comparison with {ital ab} {ital initio} calculations are presented.« less

Assignment of the photoelectron spectrum of the nitrate anion NO3- and vibronic interactions in the nitrate free radical

NASA Astrophysics Data System (ADS)

Hirota, Eizi

2018-01-01

The unpaired electron orbital of NO3 is of a2‧ symmetry in the ground electronic state, and thus its motion about the symmetry axis of the molecule is free rotation. When a degenerate vibration is excited, however, the free azimuthal rotation of the unpaired electron is perturbed much by nuclear motions of the degenerate mode, as evidenced by high-resolution spectroscopic studies. Thus the ν4 fundamental state, for example, bears some characters of the B ˜ excited electronic state through the Herzberg-Teller (H-T) interaction, and Neumark et al. explained anomalous ν4 progression in the photoelectron spectra of the NO3- anion by the H-T mechanism. However, the interaction parameter Neumark required was too large to reproduce the ν4 molecular parameters in the ground electronic state precisely determined by high-resolution IR spectroscopy. This discrepancy was resolved by the fact that the upper ν4 overtone/combination states of Neumark's photoelectron transitions were primarily of vibrational in nature. The present study thus showed that NO3 bears both vibrational and H-T induced electronic characters in excited states of degenerate modes in the ground electronic state.

Rate constants of quenching and vibrational relaxation in the OH({{A}^{2}}{{ \\Sigma }^{+}},v=0,1 ), manifold with various colliders

NASA Astrophysics Data System (ADS)

Martini, L. M.; Gatti, N.; Dilecce, G.; Scotoni, M.; Tosi, P.

2017-03-01

Laser induced fluorescence is intensively used for the detection of OH in many atmospheric pressure discharge devices. At this pressure, a quantitative knowledge of the collision phenomena in the upper excited state is critical. Here we report the measurement at T  =  300 K of a set of rate constants of electronic quenching and vibrational relaxation of the OH≤ft({{A}2}{{ Σ }+},{{v}\\prime}=0,1\\right) electronic state, by collision with N2, O2, H2O, CO2, CO, H2, D2, CH4, C2H2, C2H4, C2H6. These are the main gases in applications like plasma medicine, hydrocarbons reforming and CO2 conversion. Available literature data are revisited, and new data are added, mostly relevant to {{v}\\prime}=1 quenching and vibrational relaxation.

[Research on the emission spectrum of NO molecule's γ-band system by corona discharge].

PubMed

Zhai, Xiao-dong; Ding, Yan-jun; Peng, Zhi-min; Luo, Rui

2012-05-01

The optical emission spectrum of the gamma-band system of NO molecule, A2 sigma+ --> X2 pi(r), has been analyzed and calculated based on the energy structure of NO molecule' doublet states. By employing the theory of diatomic molecular Spectra, some key parameters of equations for the radiative transition intensity were evaluated theoretically, including the potentials of the doublet states of NO molecule's upper and lower energy levels, the electronic transition moments calculated by using r-centroid approximation method, and the Einstein coefficient of different vibrational and rotational levels. The simulated spectrum of the gamma-band system was calculated as a function of different vibrational and rotational temperature. Compared to the theoretical spectroscopy, the measured results were achieved from corona discharge experiments of NO and N2. The vibrational and rotational temperatures were determined approximately by fitting the measured spectral intensities with the calculated ones.

Effects of acute upper-body vibration on strength and power variables in climbers.

PubMed

Cochrane, Darryl J; Hawke, Emma J

2007-05-01

Whole-body vibration training has recently received a lot of attention with reported enhancements of strength and power qualities in athletes. This study investigated whether upper-body vibration would be able to augment muscular attributes for climbing performance. Twelve healthy active climbers volunteered for the study. All participants underwent 3 treatments--arm cranking (AC), upper-body vibration (UBV), and non-UBV (NUBV)--in a balanced random order, conducted on separate days. Upper-body vibration was generated via a commercialized electric-powered dumbbell with a rotating axis that delivered oscillatory movements to the shoulders and arms. The UBV treatment consisted of performing 5 upper-body exercises for a total duration of 5 minutes. The UBV frequency was set at 26 Hz, amplitude 3 mm. For the NUBV treatment, the participants performed the exact exercises and time constraints as UBV; however, the vibration dumbbell was set at 0 Hz and 0 mm amplitude. The third treatment consisted of AC, which was performed at 75 k.min(-1) for 5 minutes. Pre- and postmuscular performance measures of medicine ball throw, hand grip strength, and a specific climbing maneuver were performed after each treatment. There were no significant treatment differences on medicine ball throw, hand grip strength, and the specific climbing maneuver. Acute UBV exposure did not demonstrate the expected potential neuromuscular enhancements on the climbing performance tests selected for this study.

The effects of whole body vibration on EMG activity of the upper extremity muscles in static modified push up position.

PubMed

Ashnagar, Zinat; Shadmehr, Azadeh; Hadian, Mohammadreza; Talebian, Saeed; Jalaei, Shohreh

2016-08-10

Whole Body Vibration (WBV) has been reported to change neuromuscular activity which indirectly assessed by electromyography (EMG). Although researches regarding the influence of WBV on EMG activity of the upper extremity muscles are in their infancy, contradictory findings have been reported as a result of dissimilar protocols. The purpose of this study was to investigate the effects of WBV on electromyography (EMG) activity of upper extremity muscles in static modified push up position. Forty recreationally active females were randomly assigned in WBV and control groups. Participants in WBV group received 5 sets of 30 seconds vibration at 5 mm (peak to peak) and 30 Hz by using vibratory platform. No vibration stimulus was used in the control group. Surface EMG was recorded from Upper Trapezius (UT), Serratus Anterior (SA), Biceps Brachii (BB) and Triceps Brachii (TB) muscles before, during and after the vibration protocol while the subjects maintained the static modified push up position. EMG signals were expressed as root mean square (EMGrms) and normalized by maximum voluntary exertion (MVE). EMGrms activity of the studied muscles increased significantly during the vibration protocol in the WBV group comparing to the control group (P ≤ 0.05). The results indicated that vibration stimulus transmitting via hands increased muscle activity of UT, SA, BB and TB muscles by an average of 206%, 60%, 106% and 120%, respectively, comparing to pre vibration values. These findings suggest that short exposure to the WBV could increase the EMGrms activity of the upper extremity muscles in the static modified push-up position. However, more sessions of WBV application require for a proper judgment.

Random Vibrations

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.

The electronic emission spectrum of methylnitrene

NASA Astrophysics Data System (ADS)

Carrick, P. G.; Engelking, P. C.

1984-08-01

The à 3E-X˜ 3A2ultraviolet emission spectrum of methylnitrene (CH3N) was obtained in two ways: (1) by reacting methylazide (CH3N3) with metastable N2 in a flowing afterglow; and (2) by discharging a mixture of methylazide (CH3N3) and helium in a corona excited supersonic expansion (CESE). The origin appears at T0=31 811 cm-1. Several vibrational progressions were observed leading to the determination of a number of vibrational frequencies: v″1=2938, v■2=1350, v″3=1039, v■4=3065, and v″6=902 cm-1. Deuterium substitution confirmed the assignments of the vibrational frequencies. The X˜ 3A2 state is a normal, bound local minimum on the triplet electronic potential surface, and the upper à 3E state is able to support at least one quantum of vibration, assigned to v3, predominantly a C-N stretch. A comparison of flowing afterglow hollow cathode discharge sources and corona excited supersonic expansion sources shows the advantage of the CESE method of radical production for spectroscopy.

Efficient method for calculations of ro-vibrational states in triatomic molecules near dissociation threshold: Application to ozone

NASA Astrophysics Data System (ADS)

Teplukhin, Alexander; Babikov, Dmitri

2016-09-01

A method for calculations of rotational-vibrational states of triatomic molecules up to dissociation threshold (and scattering resonances above it) is devised, that combines hyper-spherical coordinates, sequential diagonalization-truncation procedure, optimized grid DVR, and complex absorbing potential. Efficiency and accuracy of the method and new code are tested by computing the spectrum of ozone up to dissociation threshold, using two different potential energy surfaces. In both cases good agreement with results of previous studies is obtained for the lower energy states localized in the deep (˜10 000 cm-1) covalent well. Upper part of the bound state spectrum, within 600 cm-1 below dissociation threshold, is also computed and is analyzed in detail. It is found that long progressions of symmetric-stretching and bending states (up to 8 and 11 quanta, respectively) survive up to dissociation threshold and even above it, whereas excitations of the asymmetric-stretching overtones couple to the local vibration modes, making assignments difficult. Within 140 cm-1 below dissociation threshold, large-amplitude vibrational states of a floppy complex O⋯O2 are formed over the shallow van der Waals plateau. These are assigned using two local modes: the rocking-motion and the dissociative-motion progressions, up to 6 quanta in each, both with frequency ˜20 cm-1. Many of these plateau states are mixed with states of the covalent well. Interestingly, excitation of the rocking-motion helps keeping these states localized within the plateau region, by raising the effective barrier.

Infrared Auroral Emissions Driven by Resonant Electron Impact Excitation of NO Molecules

NASA Astrophysics Data System (ADS)

Campbell, L.; Brunger, M. J.; Petrovic, Z. Lj.; Jelisavcic, M.; Panajotovic, R.; Buckman, S. J.

2004-05-01

Although only a minor constituent of the earth's upper atmosphere, nitric oxide (NO) plays a major role in infrared auroral emissions due to radiation from vibrationally excited (NO*) states. The main process leading to the production of these excited molecules was thought to be chemiluminescence, whereby excited nitrogen atoms interact with oxygen molecules to form vibrationally excited nitric oxide (NO*) and atomic oxygen. Here we show evidence that a different production mechanism for NO*, due to low energy electron impact excitation of NO molecules, is responsible for more than 30% of the NO auroral emission near 5 μm.

Infrared spectroscopy of the ν1 + ν4 and 3ν4 bands of the nitrate radical

NASA Astrophysics Data System (ADS)

Kawaguchi, Kentarou; Fujimori, Ryuji; Ishiwata, Takashi

2018-05-01

High-resolution Fourier transform infrared spectra of the ν1 + ν4 and 3ν4 bands of 14NO3 were observed in the 1414 and 1174 cm-1 regions, respectively, and the corresponding ones of 15NO3 in the 1407 and 1159 cm-1 regions, respectively, and analyzed as E‧-A2‧ bands. The rotational constants of the upper states of 14NO3 are determined to be 0.457584 and 0.46089 cm-1 for ν1 + ν4 and 3ν4, respectively, consistent with the vibrational assignment. Effective Coriolis coupling constants of the ground electronic state are partly explained by vibronic interaction from the B2E‧ state, and a large change (37% decrease) in the value of the ν1 + ν4 state compared with that of the ν4 state is attributed to a mixing with the ν3 + ν4 state (1492 cm-1) through vibrational anharmonicity.

High-resolution spectroscopy of the C-N stretching band of methylamine

NASA Astrophysics Data System (ADS)

Lees, Ronald M.; Sun, Zhen-Dong; Billinghurst, B. E.

2011-09-01

The C-N stretching infrared fundamental of CH3NH2 has been investigated by high-resolution laser sideband and Fourier transform synchrotron spectroscopy to explore the energy level structure and to look for possible interactions with high-lying torsional levels of the ground state and other vibrational modes. The spectrum is complicated by two coupled large-amplitude motions in the molecule, the CH3 torsion and the NH2 inversion, which lead to rich spectral structure with a wide range of energy level splittings and relative line intensities. Numerous sub-bands have been assigned for K values ranging up to 12 for the stronger a inversion species for the vt = 0 torsional state, along with many of the weaker sub-bands of the s species. The C-N stretching sub-state origins have been determined by fitting the upper-state term values to J(J + 1) power-series expansions. For comparison with the ground-state behaviour, both ground and C-N stretch origins have been fitted to a phenomenological Fourier series model that produces an interesting pattern with the differing periodicities of the torsional and inversion energies. The amplitude of the torsional energy oscillation increases substantially for the C-N stretch, while the amplitude of the inversion energy oscillation is relatively unchanged. Independent inertial scale factors ρ were fitted for the torsion and the inversion and differ significantly in the upper state. The C-N stretching vibrational energy is determined to be 1044.817 cm-1, while the effective upper state B-value is 0.7318 cm-1. Several anharmonic resonances with vt = 4 ground-state levels have been observed and partially characterized. A variety of J-localized level-crossing resonances have also been seen, five of which display forbidden transitions arising from intensity borrowing that allow determination of the interaction coupling constants.

N2O vibration-rotation parameters derived from measurements in the 900-1090- and 1580-2380/cm regions

NASA Technical Reports Server (NTRS)

Toth, Robert A.

1987-01-01

Fourier-transform spectrometric measurements of the N2O IR spectrum in the 900-1090 and 1580-2380/cm regions were obtained at a 0.005/cm resolution, and line frequencies of eight species for several ground state bands and hot bands are analyzed to obtain values of band centers and upper-state effective rotational constants. Several bands are reported for the first time. Least-squares fits for the 0400-0000, 0420(e)-0000, and 0510-0110 bands of the (N-14)2O-16 species suggest perturbation of the high-J levels of the upper states. Resonance interactions were noted in transitions including the 1001-1000 bands of (N-14)2O-16 and N-15N-14O-16.

On the vibronic level structure in the NO3 radical. Part III. Observation of intensity borrowing via ground state mixing.

PubMed

Stanton, John F; Okumura, Mitchio

2009-06-21

The A(2)E''<-- X(2)A'(2) absorption spectrum exhibits vibronically allowed transitions from the ground state of NO(3) to upper state levels having a''(1) and e' vibronic symmetries. This paper explores the coupling mechanisms that lend intensities to these features. While transitions to e' vibronic levels borrow intensity from the very strong B(2)E'<-- X(2)A'(2) electronic transition, those to a''(1) levels involve only negligible upper-state borrowing effects. Rather, it is the vibronic mixing of the ground vibronic level of NO(3) with vibrational levels in the B(2)E' electronic state that permit the a''(1) levels to be seen in the spectrum. These ideas are supported by vibronic coupling calculations. The fact that the intensities of features corresponding to the two different vibronic symmetries are comparable is thus accidental.

The Finite Element Simulation of the Upper Airway of Patients with Moderate and Severe Obstructive Sleep Apnea Hypopnea Syndrome

PubMed Central

Luo, Huiping; Scholp, Austin

2017-01-01

Objectives To investigate the snoring modes of patients with Obstructive Sleep Apnea Hypopnea Syndrome and to discover the main sources of snoring in soft tissue vibrations. Methods A three-dimensional finite element model was developed with SolidEdge to simulate the human upper airway. The inherent modal simulation was conducted to obtain the frequencies and the corresponding shapes of the soft tissue vibrations. The respiration process was simulated with the fluid-solid interaction method through ANSYS. Results The first 6 orders of modal vibration were 12 Hz, 18 Hz, 21 Hz, 22 Hz, 36 Hz, and 39 Hz. Frequencies of modes 1, 2, 4, and 5 were from tongue vibrations. Frequencies of modes 3 and 6 were from soft palate vibrations. Steady pressure distribution and air distribution lines in the upper airway were shown clearly in the fluid-solid interaction simulation results. Conclusions We were able to observe the vibrations of soft tissue and the modeled airflow by applying the finite element methods. Future studies could focus on improving the soft tissues vibration compliances by adjusting the model parameters. Additionally, more attention should be paid to vibrational components below 20 Hz when performing an acoustic analysis of human snore sounds due to the presence of these frequencies in this model. PMID:29204444

The Finite Element Simulation of the Upper Airway of Patients with Moderate and Severe Obstructive Sleep Apnea Hypopnea Syndrome.

PubMed

Luo, Huiping; Scholp, Austin; Jiang, Jack J

2017-01-01

To investigate the snoring modes of patients with Obstructive Sleep Apnea Hypopnea Syndrome and to discover the main sources of snoring in soft tissue vibrations. A three-dimensional finite element model was developed with SolidEdge to simulate the human upper airway. The inherent modal simulation was conducted to obtain the frequencies and the corresponding shapes of the soft tissue vibrations. The respiration process was simulated with the fluid-solid interaction method through ANSYS. The first 6 orders of modal vibration were 12 Hz, 18 Hz, 21 Hz, 22 Hz, 36 Hz, and 39 Hz. Frequencies of modes 1, 2, 4, and 5 were from tongue vibrations. Frequencies of modes 3 and 6 were from soft palate vibrations. Steady pressure distribution and air distribution lines in the upper airway were shown clearly in the fluid-solid interaction simulation results. We were able to observe the vibrations of soft tissue and the modeled airflow by applying the finite element methods. Future studies could focus on improving the soft tissues vibration compliances by adjusting the model parameters. Additionally, more attention should be paid to vibrational components below 20 Hz when performing an acoustic analysis of human snore sounds due to the presence of these frequencies in this model.

Selfconsistent vibrational and free electron kinetics for CO2 dissociation in cold plasmas

NASA Astrophysics Data System (ADS)

Capitelli, Mario

2016-09-01

The activation of CO2 by cold plasmas is receiving new theoretical interest thanks to two European groups. The Bogaerts group developed a global model for the activation of CO2 trying to reproduce the experimental values for DBD and microwave discharges. The approach of Pietanza et al was devoted to understand the dependence of electron energy distribution function (eedf) of pure CO2 on the presence of concentrations of electronically and vibrationally excited states taken as parameter. To understand the importance of the vibrational excitation in the dissociation process Pietanza et al compared an upper limit to the dissociation process from a pure vibrational mechanism (PVM) with the corresponding electron impact dissociation rate, the prevalence of the two models depending on the reduced electric field and on the choice of the electron molecule cross section database. Improvement of the Pietanza et al model is being considered by coupling the time dependent Boltzmann solver with the non equilibrium vibrational kinetics of asymmetric mode and with simplified plasma chemistry kinetics describing the ionization/recombination process and the excitation-deexcitation of a metastable level at 10.5eV. A new PVM mechanism is also considered. Preliminary results, for both discharge and post discharge conditions, emphasize the action of superelastic collisions involving both vibrationally and electronically excited states in affecting the eedf. The new results can be used to plan a road map for future developments of numerical codes for rationalizing existing experimental values, as well as, for indicating new experimental situations.

Effect of whole-body vibration exercise in a sitting position prior to therapy on muscle tone and upper extremity function in stroke patients.

PubMed

Boo, Jung-A; Moon, Sang-Hyun; Lee, Sun-Min; Choi, Jung-Hyun; Park, Si-Eun

2016-01-01

[Purpose] The purpose of this study was to determine the effect of whole-body vibration exercise in a sitting position prior to therapy in stroke patients. [Subjects and Methods] Fourteen chronic stroke patients were included in this study. Prior to occupational therapy, whole-body exercise was performed for 10 minutes, 5 times per week, for a total of 8 weeks. Muscle tone and upper extremity function were measured. The Modified Ashworth Scale (MAS) was used to measure muscle tone, and the Manual Function Test (MFT) and Fugl-Meyer Assessment scale (FugM) were used to measure upper extremity function. [Results] MAS score was significantly decreased, and MFT and FugM were significantly increased. [Conclusion] These results indicate that whole-body vibration exercise in a sitting position prior to therapy had a positive effect on muscle tone, and upper extremity function in stroke patients.

The production of O(1S) from dissociative recombination of O2(+). [in earth upper atmosphere

NASA Technical Reports Server (NTRS)

Guberman, Steven L.

1987-01-01

The first theoretical calculations of the rate coefficient alpha for dissociative recombination of O2(+) leading to O(1S) are reported for a wide range of temperatures. The findings are discussed in terms of the potential energy curves for the ground state of O2(+) and for the dissociative 1Sigma(u) state calculated here. Values of alpha for the equilibrium case in which the electron and vibrational temperatures are identical are shown.

Isotopic substitution of a hydrogen bond: A near infrared study of the intramolecular states in (DF)2

NASA Astrophysics Data System (ADS)

Davis, Scott; Anderson, David T.; Farrell, John T., Jr.; Nesbitt, David J.

1996-06-01

High resolution near infrared spectra of the two high frequency intramolecular modes in (DF)2 have been characterized using a slit-jet infrared spectrometer. In total, four pairs of vibration-rotation-tunneling (VRT) bands are observed, corresponding to K=0 and K=1 excitation of both the ν2 (``bound'') and ν1 (``free'') intramolecular DF stretching modes. Analysis of the rotationally resolved spectra provides vibrational origins, rotational constants, tunneling splittings and upper state predissociation lifetimes for all four states. The rotational constants indicate that the deuterated hydrogen bond contracts and bends upon intramolecular excitation, analogous to what has been observed for (HF)2. The isotope and K dependence of tunneling splittings for (HF)2 and (DF)2 in both intramolecular modes is interpreted in terms of a semiclassical 1-D tunneling model. High resolution line shape measurements reveal vibrational predissociation broadening in (DF)2: 56(2) and 3(2) MHz for the ν2 (bound) and ν1 (free) intramolecular stretching modes, respectively. This 20-fold mode specific enhancement parallels the ≥30-fold enhancement observed between analogous intramolecular modes of (HF)2, further elucidating the role of nonstatistical predissociation dynamics in such hydrogen bonded clusters.

Electron impact vibrational excitation of carbon monoxide in the upper atmospheres of Mars and Venus

NASA Astrophysics Data System (ADS)

Campbell, L.; Allan, M.; Brunger, M. J.

2011-09-01

Infrared emission from CO in the upper atmospheres of Mars, Venus and several other planets is a subject of current theoretical and experimental interest. Electron impact excitation makes a contribution that has not been included in previous studies. Given this, and recent new measurements of absolute cross sections for low-energy electron impact excitation of the vibrational levels of the ground state of CO, results from calculations are presented showing the contribution of electron impact relative to emissions by other mechanisms. It is demonstrated that emissions due to the impact of thermal, photo- and auroral electrons are generally small compared to sunlight-driven (fluorescence and photolysis) emissions, but with some exceptions. It is also shown that thermal-electron emissions may dominate over other processes at nighttime at Mars and that auroral emissions certainly do so. While measurements and other calculations do not appear to be available for Venus, the volume emission rates presented should be valuable in planning such measurements.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, T. L.; Nilsson, R.; Chen, C. H.

We have carried out two sets of observations to quantify the properties of SiO gas in the unusual HD 172555 debris disk: (1) a search for the J = 8–7 rotational transition from the vibrational ground state, carried out with the Atacama Pathfinder EXperiment (APEX) submillimeter telescope and heterodyne receiver at 863 μ m and (2) a search at 8.3 μ m for the P(17) ro-vibrational transition of gas phase SiO, carried out with the Very Large Telescope (VLT)/VISIR with a resolution, λ /Δ λ , of 30,000. The APEX measurement resulted in a 3.3 σ detection of an interstellarmore » feature, but only an upper limit to emission at the radial velocity and line width expected from HD 172555. The VLT/VISIR result was also an upper limit. These were used to provide limits for the abundance of gas phase SiO for a range of temperatures. The upper limit from our APEX detection, assuming an 8000 K primary star photospheric excitation, falls more than an order of magnitude below the self-shielding stability threshold derived by Johnson et al. (2012). Our results thus favor a solid-state origin for the 8.3 μ m feature seen in the Spitzer IRS spectrum of the circumstellar excess emission and the production of circumstellar O i and Si i by SiO UV photolysis. The implications of these estimates are explored in the framework of models of the HD 172555 circumstellar disk.« less

Combined passive magnetic bearing element and vibration damper

DOEpatents

Post, Richard F.

2001-01-01

A magnetic bearing system contains magnetic subsystems which act together to support a rotating element in a state of dynamic equilibrium and dampen transversely directed vibrations. Mechanical stabilizers are provided to hold the suspended system in equilibrium until its speed has exceeded a low critical speed where dynamic effects take over, permitting the achievement of a stable equilibrium for the rotating object. A state of stable equilibrium is achieved above a critical speed by use of a collection of passive elements using permanent magnets to provide their magnetomotive excitation. In a improvement over U.S. Pat. No. 5,495,221, a magnetic bearing element is combined with a vibration damping element to provide a single upper stationary dual-function element. The magnetic forces exerted by such an element, enhances levitation of the rotating object in equilibrium against external forces, such as the force of gravity or forces arising from accelerations, and suppresses the effects of unbalance or inhibits the onset of whirl-type rotor-dynamic instabilities. Concurrently, this equilibrium is made stable against displacement-dependent drag forces of the rotating object from its equilibrium position.

Effect of vibrationally excited oxygen on ozone production in the stratosphere

NASA Technical Reports Server (NTRS)

Patten, K. O., Jr.; Connell, P. S.; Kinnison, D. E.; Wuebbles, D. J.; Slanger, T. G.; Froidevaux, L.

1994-01-01

Photolysis of vibrationally excited oxygen produced by ultraviolet photolysis of ozone in the upper stratosphere is incorporated into the Lawrence Livermore National Laboratory two-dimensional zonally averaged chemical-radiative-transport model of the troposphere and stratosphere. The importance of this potential contributor of odd oxygen to the concentration of ozone is evaluated based on recent information on vibrational distributions of excited oxygen and on preliminary studies of energy transfer from the excited oxygen. When energy transfer rate constants similar to those of Toumi et al. (1991) are assumed, increases in model ozone concentrations of up to 4.0% in the upper stratosphere are found, and the model ozone concentrations are found to agree slightly better with measurements, including recent data from the Upper Atmosphere Research Satellite. However, the ozone increase is only 0.3% when the larger energy transfer rate constants indicated by recent experimental work are applied to the model. An ozone increase of 1% at 50 km requires energy transfer rate constants one-twentieth those of the preliminary observations. As a result, vibrationally excited oxygen processes probably do not contribute enough ozone to be significant in models of the upper stratosphere.

A new laboratory source of ozone and its potential atmospheric implications

NASA Astrophysics Data System (ADS)

Slanger, T. G.; Jusinski, L. E.; Black, G.; Gadd, G. E.

1988-08-01

Although 248-nm radiation falls 0.12 eV short of the energy needed to dissociate O2, large densities of ozone (O3) can be produced from unfocused 248-nm KrF excimer laser irradiation of pure O2. As soon as any O3 is present, it strongly absorbs the 248-nanometer radiation and dissociates to vibrationally excited ground state O2 (among other products), with a quantum yield of 0.1 to 0.15. During the laser pulse, a portion of these molecules absorb a photon and dissociate, which results in the production of three oxygen atoms for one O3 molecule destroyed. Recombination then converts these atoms to O3, and thus O3 production in the system is autocatalytic. A deficiency exists in current models of O3 photochemistry in the upper stratosphere and mesosphere, in that more O3 is found than can be explained. A detailed analysis of the system as it applies to the upper atmosphere is not yet possible, but with reasonable assumptions about O2 vibrational distributions resulting from O3 photodissociation and about relaxation rates of vibrationally excited O2, a case can be made for the importance of including this mechanism in the models.

Electronic emission spectrum of methylnitrene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carrick, P.G.; Engelking, P.C.

The A /sup 3/E--X /sup 3/A/sub 2/ultraviolet emission spectrum of methylnitrene (CH/sub 3/N) was obtained in two ways: (1) by reacting methylazide (CH/sub 3/N/sub 3/) with metastable N/sub 2/ in a flowing afterglow; and (2) by discharging a mixture of methylazide (CH/sub 3/N/sub 3/) and helium in a corona excited supersonic expansion (CESE). The origin appears at T/sub 0/ = 31 811 cm/sup -1/. Several vibrational progressions were observed leading to the determination of a number of vibrational frequencies: v/sup double-prime//sub 1/ = 2938 , v/sup X//sub 2/ = 1350, v/sup double-prime//sub 3/ = 1039, v/sup X//sub 4/ = 3065,more » and v/sup double-prime//sub 6/ = 902 cm/sup -1/. Deuterium substitution confirmed the assignments of the vibrational frequencies. The X /sup 3/A/sub 2/ state is a normal, bound local minimum on the triplet electronic potential surface, and the upper A /sup 3/E state is able to support at least one quantum of vibration, assigned to v/sup //sub 3/, predominantly a C--N stretch. A comparison of flowing afterglow hollow cathode discharge sources and corona excited supersonic expansion sources shows the advantage of the CESE method of radical production for spectroscopy.« less

Analysis of the stability of nonlinear suspension system with slow-varying sprung mass under dual-excitation

NASA Astrophysics Data System (ADS)

Yao, Jun; Zhang, Jinqiu; Zhao, Mingmei; Li, Xin

2018-07-01

This study investigated the stability of vibration in a nonlinear suspension system with slow-varying sprung mass under dual-excitation. A mathematical model of the system was first established and then solved using the multi-scale method. Finally, the amplitude-frequency curve of vehicle vibration, the solution's stable region and time-domain curve in Hopf bifurcation were derived. The obtained results revealed that an increase in the lower excitation would reduce the system's stability while an increase in the upper excitation can make the system more stable. The slow-varying sprung mass will change the system's damping from negative to positive, leading to the appearance of limit cycle and Hopf bifurcation. As a result, the vehicle's vibration state is forced to change. The stability of this system is extremely fragile under the effect of dynamic Hopf bifurcation as well as static bifurcation.

Measurement and computations of line shape parameters for the 12201 ← 03301, 11101 ← 10002 and 12201 ← 11102 self-broadened CO2 Q-branches

NASA Astrophysics Data System (ADS)

Al Mashwood, Abdullah; Predoi-Cross, Adriana; Devi, V. Malathy; Rozario, Hoimonti; Billinghurst, Brant

2018-06-01

Pure CO2 spectra recorded at room temperature and different pressures (0.2-140 Torr) have been analyzed with the help of a fitting routine that takes into account asymmetries arising in the spectral lines due to pressure induced effects such as line mixing. The fitting procedure used in this study allows one to adjust the ro-vibrational constants for the band rather than fitting for individual line parameters. These constrained parameters greatly reduce the measurement uncertainties and allow us to observe the behavior of the weak lines corresponding to high J quantum numbers. We have also calculated line mixing parameters using approximations based on exponential nature of the energy difference between ground and upper vibrational states involved in the ro-vibrational band transitions. The calculated results show good agreement when compared with the experimentally determined parameters.

Infrared emission from desorbed NO2(*) and NO(*)

NASA Technical Reports Server (NTRS)

Kofsky, I. L.; Barrett, J. L.

1985-01-01

Infrared photons from the radiative cascade accompany both the gas phase NO2 continuum chemiluminescence (which originates from its 2B2 and 2B1 states) and the NO beta bands. When these upper electronic states are excited by recombination/desorption at surfaces of low Earth orbiting spacecraft, similar IR emission spectrums will be observed. The principal NO2 features (other than the long wavelength tail of its electronic transitions) are the nu sub 3 fundamental sequence near 6.2 microns and nu sub 1 + nu sub 3 intercombination bands near 3.6 microns; NO would emit the delta v=1 and delta v=2 systems above 5.3 and 2.7 microns. Because of the long radiative lifetimes of the upper vibrational states, the infrared radiances in projections parallel to the vehicle surface (which we estimate) are substantially less than those of the visible and ultraviolet glows.

An investigation of the processes controlling ozone in the upper stratosphere

NASA Technical Reports Server (NTRS)

Patten, Kenneth O., Jr.; Connell, Peter S.; Kinnison, Douglas E.; Wuebbles, Donald J.; Waters, Joe; Froidevaux, Lucien; Slanger, Tom G.

1994-01-01

Photolysis of vibrationally excited oxygen produced by ultraviolet photolysis of ozone in the upper stratosphere is incorporated into the Lawrence Livermore National Laboratory 2-D zonally averaged chemical-radiative-transport model of the troposphere and stratosphere. The importance of this potential contributor of odd oxygen to the concentration of ozone is evaluated based upon recent information on vibrational distributions of excited oxygen and upon preliminary studies of energy transfer from the excited oxygen. When the energy transfer rate constants of previous work are assumed, increases in model ozone concentrations of up to 40 percent in the upper stratosphere are found, and the ozone concentrations of the model agree with measurements, including data from the Upper Atmosphere Research Satellite. However, the increase is about 0.4 percent when the larger energy transfer rate constants suggested by more recent experimental work are applied in the model. This indicates the importance of obtaining detailed information on vibrationally excited oxygen properties to evaluation of this process for stratospheric modelling.

The Electronic-Vibrational Behaviour of O2 in the Upper Atmosphere under Night-time Auroral Conditions

NASA Astrophysics Data System (ADS)

Jones, D. B.; Cartwright, D. C.; Campbell, L.; Teubner, P. J. O.; Brunger, M. J.; Bottema, M. J.

2004-09-01

We report on the extension of our Statistical Equlibrium Code (SEC) to determine the electronic-vibrational behaviour of O2 in the thermosphere, under night-time auroral conditions. This work was necessitated by the inadequacies in previous studies where the electron-impact cross section data bases employed have been superceeded, and/or direct excitation of states via electron impact has been neglected. Here we use the latest electron-impact cross section data bases to present the first electron-impact excitation rates for the 8 lowest lying electronic states of O_2. We then use these rates in conjunction with the most accurately available Franck-Condon factors, transition probabilities and quenching rates to determine the excited state populations. Note that predissociation, which is important for O_2, is also included in our model. We present radiative rates for various transitions and compare these results with those from other models and experimental rocket measurements.

Design and control of six degree-of-freedom active vibration isolation table.

PubMed

Hong, Jinpyo; Park, Kyihwan

2010-03-01

A six-axis active vibration isolation system (AVIS) is designed by using the direct driven guide and ball contact mechanisms in order to have no cross-coupling between actuators. The point contact configuration gives an advantage of having an easy assembly of eight voice coil actuators to an upper and a base plate. A voice coil actuator is used since it can provide a large displacement and sufficient bandwidth required for vibration control. The AVIS is controlled considering the effect of flexible vibration mode in the upper plate and velocity sensor dynamics. A loop shaping technique and phase margin condition are applied to design a vibration controller. The performances of the AVIS are investigated in the frequency domain and finally validated by comparing with the passive isolation system. The scanning profiles of the specimen are compared together by using the atomic force microscope. The robustness of the AVIS is verified by showing the impulse response.

Design and control of six degree-of-freedom active vibration isolation table

NASA Astrophysics Data System (ADS)

Hong, Jinpyo; Park, Kyihwan

2010-03-01

A six-axis active vibration isolation system (AVIS) is designed by using the direct driven guide and ball contact mechanisms in order to have no cross-coupling between actuators. The point contact configuration gives an advantage of having an easy assembly of eight voice coil actuators to an upper and a base plate. A voice coil actuator is used since it can provide a large displacement and sufficient bandwidth required for vibration control. The AVIS is controlled considering the effect of flexible vibration mode in the upper plate and velocity sensor dynamics. A loop shaping technique and phase margin condition are applied to design a vibration controller. The performances of the AVIS are investigated in the frequency domain and finally validated by comparing with the passive isolation system. The scanning profiles of the specimen are compared together by using the atomic force microscope. The robustness of the AVIS is verified by showing the impulse response.

Ultra-low-frequency vertical vibration isolator based on a two-stage beam structure for absolute gravimetry.

PubMed

Wang, G; Wu, K; Hu, H; Li, G; Wang, L J

2016-10-01

To reduce seismic and environmental vibration noise, ultra-low-frequency vertical vibration isolation systems play an important role in absolute gravimetry. For this purpose, an isolator based on a two-stage beam structure is proposed and demonstrated. The isolator has a simpler and more robust structure than the present ultra-low-frequency vertical active vibration isolators. In the system, two beams are connected to a frame using flexural pivots. The upper beam is suspended from the frame with a normal hex spring and the lower beam is suspended from the upper one using a zero-length spring. The pivot of the upper beam is not vertically above the pivot of the lower beam. With this special design, the attachment points of the zero-length spring to the beams can be moved to adjust the effective stiffness. A photoelectric detector is used to detect the angle between the two beams, and a voice coil actuator attached to the upper beam is controlled by a feedback circuit to keep the angle at a fixed value. The system can achieve a natural period of 100 s by carefully moving the attachment points of the zero-length spring to the beams and tuning the feedback parameters. The system has been used as an inertial reference in the T-1 absolute gravimeter. The experiment results demonstrate that the system has significant vibration isolation performance that holds promise in applications such as absolute gravimeters.

Ultra-low-frequency vertical vibration isolator based on a two-stage beam structure for absolute gravimetry

NASA Astrophysics Data System (ADS)

Wang, G.; Wu, K.; Hu, H.; Li, G.; Wang, L. J.

2016-10-01

To reduce seismic and environmental vibration noise, ultra-low-frequency vertical vibration isolation systems play an important role in absolute gravimetry. For this purpose, an isolator based on a two-stage beam structure is proposed and demonstrated. The isolator has a simpler and more robust structure than the present ultra-low-frequency vertical active vibration isolators. In the system, two beams are connected to a frame using flexural pivots. The upper beam is suspended from the frame with a normal hex spring and the lower beam is suspended from the upper one using a zero-length spring. The pivot of the upper beam is not vertically above the pivot of the lower beam. With this special design, the attachment points of the zero-length spring to the beams can be moved to adjust the effective stiffness. A photoelectric detector is used to detect the angle between the two beams, and a voice coil actuator attached to the upper beam is controlled by a feedback circuit to keep the angle at a fixed value. The system can achieve a natural period of 100 s by carefully moving the attachment points of the zero-length spring to the beams and tuning the feedback parameters. The system has been used as an inertial reference in the T-1 absolute gravimeter. The experiment results demonstrate that the system has significant vibration isolation performance that holds promise in applications such as absolute gravimeters.

Observation of two coupled Faraday waves in a vertically vibrating Hele-Shaw cell with one of them oscillating horizontally

NASA Astrophysics Data System (ADS)

Li, Xiaochen; Li, Xiaoming; Liao, Shijun

2018-01-01

A system of two coupled Faraday waves is experimentally observed at the two interfaces of the three layers of fluids (air, pure ethanol, and silicon oil) in a covered Hele-Shaw cell with periodic vertical vibration. Both the upper and lower Faraday waves are subharmonic, but they coexist in different forms: the upper one vibrates vertically, while the crests of the lower one oscillate horizontally with unchanged wave height, and the troughs of the lower one usually remain in the same place (relative to the basin). Besides, they are strongly coupled: the wave height of the lower Faraday waves is either a linear function (when forcing frequency is fixed) or a parabolic function (when acceleration amplitude is fixed) of that of the upper one with a same wavelength.

Ultraviolet laser spectroscopy of jet-cooled CaNC and SrNC free radicals: Observation of bent excited electronic states

NASA Astrophysics Data System (ADS)

Greetham, Gregory M.; Ellis, Andrew M.

2000-11-01

New electronic transitions of the CaNC and SrNC free radicals have been identified in the near ultraviolet. For CaNC one new system, labeled the D˜-X˜ transition, was observed in the 31 500-33 400 cm-1 region. Two new transitions were found for SrNC, the D˜-X˜ and Ẽ-X˜ systems spanning 29 100-31 000 and 32 750-34 000 cm-1, respectively. Jet-cooled laser excitation spectra yield complex vibrational structure, much of which is attributed to excitation of the bending vibration. This has been used to infer that the molecule adopts a nonlinear equilibrium geometry in the upper electronic state in all three band systems, in contrast to the linear ground electronic state. This structural change is accounted for by the increased diffuseness of the unpaired electron in the excited states, which favors deviation from linearity. All three new excited states are assigned 2A' symmetry and correlate with 2Σ+ states in the linear molecule limit. Tentative estimates for the barriers to linearity in the D˜ 2A' states of CaNC and SrNC have been determined as ˜700 and ˜1050 cm-1, respectively.

Digital vibration threshold testing and ergonomic stressors in automobile manufacturing workers: a cross-sectional assessment.

PubMed

Gold, J E; Punnett, L; Cherniack, M; Wegman, D H

2005-01-01

Upper extremity musculoskeletal disorders (UEMSDs) comprise a large proportion of work-related illnesses in the USA. Physical risk factors including manual force and segmental vibration have been associated with UEMSDs. Reduced sensitivity to vibration in the fingertips (a function of nerve integrity) has been found in those exposed to segmental vibration, to hand force, and in office workers. The objective of this study was to determine whether an association exists between digital vibration thresholds (VTs) and exposure to ergonomic stressors in automobile manufacturing. Interviews and physical examinations were conducted in a cross-sectional survey of workers (n = 1174). In multivariable robust regression modelling, associations with workers' estimates of ergonomic stressors stratified on tool use were determined. VTs were separately associated with hand force, vibration as felt through the floor (whole body vibration), and with an index of multiple exposures in both tool users and non-tool users. Additional associations with contact stress and awkward upper extremity postures were found in tool users. Segmental vibration was not associated with VTs. Further epidemiologic and laboratory studies are needed to confirm the associations found. The association with self-reported whole body vibration exposure suggests a possible sympathetic nervous system effect, which remains to be explored.

FTIR Synchrotron Spectroscopy of the Asymmetric C-H Stretching Bands of Methyl Mercaptan (CH3SH) - a Perplexity of Perturbations

NASA Astrophysics Data System (ADS)

Lees, Ronald M.; Xu, Li-Hong; Reid, Elias M.; Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Perry, David S.; Twagirayezu, Sylvestre; Billinghurst, Brant E.

2016-06-01

The infrared Fourier transform spectrum of the asymmetric C-H stretching bands of CH3SH has been recorded in the 2950-3100 cm-1 region at Doppler limited resolution using synchrotron radiation at the FIR beamline of the Canadian Light Source in Saskatoon. Assignment of numerous torsion-rotation sub-bands for the asymmetric stretches has revealed a surprising pseudo-symmetric behavior, in which each band is seen in only one of the two possible ΔK selection rules. The upper states of the two asymmetric stretching vibrational bands thus appear to behave more like l = ± 1 components of a degenerate E state of a symmetric top rather than distinct vibrational states. The two components are separated by about 1.5 cm-1 at K = 0, and then diverge linearly at higher K with torsional oscillation amplitude similar to that of the ground state of about 1.3 cm-1. The divergence is consistent with an a-type Coriolis splitting picture with an effective Coriolis constant ζ ≈ 0.075.

First infrared high resolution analysis of the ν5 band of phosgene 37Cl2CO

NASA Astrophysics Data System (ADS)

Flaud, J.-M.; Kwabia Tchana, F.; Perrin, A.; Manceron, L.; Ndao, M.

2018-06-01

A Fourier transform spectrum of phosgene (Cl2CO) has been recorded in the 11.8 μm spectral region at low temperature and at a resolution of 0.00102 cm-1 using a Bruker IFS125HR spectrometer coupled to synchrotron radiation leading to the observation of the ν5 vibrational band of the isotopologue 37Cl2CO. The corresponding upper state rovibrational levels were fit using a Watson-type Hamiltonian. In this way it was possible to reproduce the upper state rovibrational levels almost to within the experimental uncertainty i.e. ∼0.50 × 10-3 cm-1. Very accurate rotational and centrifugal distortion constants were derived from the fit together with the following band center: ν0 (ν5,37Cl2CO) = 848.970769 (20) cm-1.

Deformation localization forming and destruction over a decompression zone.

NASA Astrophysics Data System (ADS)

Turuntaev, Sergey; Kondratyev, Viktor

2017-04-01

Development of a hydrocarbon field is accompanied by deformation processes in the surrounding rocks. In particular, a subsidence of oil strata cap above a decompression zone near producing wells causes changes in the stress-strain state of the upper rocks. It was shown previously, that the stress spatial changes form a kind of arch structures. The shear displacements along the arch surfaces can occur, and these displacements can cause a collapse of casing or even man-made earthquakes. We present here the results of laboratory simulation of such a phenomenon. A laboratory setup was made in the form of narrow box 30x30x5 cm3 in size with a hole (0.6 cm in diameter) in its bottom. As a model of porous strata, a foam-rubber layer of 4.0 -10.5cm in thick was used, which was saturated with water. The foam was sealed to the bottom of the box; the upper part of the box was filled by the dry sand. The sand was separated from the foam by thin polyethylene film to prevent the sand wetting. For visualization the sand deformations, the front wall of the box was made transparent and the sand was marked by horizontal strips of the colored sand. In the experiments, the water was pumped out the foam layer through the bottom hole. After pumping-out 50 ml of the water, the localization of sand deformations above the sink hole became noticeable; after pumping-out 100 ml of the water, the localized deformation forms an arch. At the same time, there was no displacement on the upper surface of the sand. To amplify the localization effect, the foam was additionally squeezed locally. In this case, three surfaces of the localized deformation appeared in the sand. The vertical displacements decreased essentially with height, but they reached the upper layers of the sand. An influence of vibration on arches forming was investigated. Several types of vibrators were used, they were placed inside the sand or on the front side of the box. Resulting accelerations were measured by the accelerometers placed into the sand. It was found, that if the amplitudes of the accelerations are equal or greater than 0.37g, the localized deformation did not appear near the vibrator location, but arose at some distance from it. If the vibration amplitudes exceed the threshold value 0.39g everywhere in the sand, the deformation localization did not occur. When the vibrator is displaced from the center of the model, the localization vanished near its position.

Muscle focal vibration in healthy subjects: evaluation of the effects on upper limb motor performance measured using a robotic device.

PubMed

Aprile, Irene; Di Sipio, Enrica; Germanotta, Marco; Simbolotti, Chiara; Padua, Luca

2016-04-01

Muscle vibration is a technique that applies a low-amplitude/high-frequency vibratory stimulus to a specific muscle using a mechanical device. The aim of this study was to evaluate, using robot-based outcomes, the effects of focal muscle vibration, at different frequencies, on the motor performance of the upper limb in healthy subjects. Forty-eight volunteer healthy subjects (age: 31 ± 8 years) were enrolled. Subjects were assigned to three different groups: the first group, in which subjects underwent muscle vibration treatment with a frequency of 100 Hz; the second group of subjects underwent the same treatment protocol, but using a frequency of vibration of 200 Hz; finally, the control group did not undergo any treatment. The robot-based evaluation session consisted of visually guided reaching task, performed in the sagittal plane. Our results showed that the vibration treatment improved upper limb motor performance of healthy subjects from the baseline (T0) to 10 days after the end of the treatment (T2), but only the group treated with a frequency of 200 Hz reached statistical significance. Specifically, in this group we found an increase of the number of repetitions (T0: 51.4 ± 22.7; T2: 66.3 ± 11.8), and the smoothness of the movement, as showed by a decrease of the Normalized Jerk (T0: 10.5 ± 2.8; T2: 7.7 ± 0.5). The results of our study support the use of focal muscle vibration protocols in healthy subjects, to improve motor performance.

Theoretical study of ArH+ dissociative recombination and electron-impact vibrational excitation

NASA Astrophysics Data System (ADS)

Abdoulanziz, A.; Colboc, F.; Little, D. A.; Moulane, Y.; Mezei, J. Zs; Roueff, E.; Tennyson, J.; Schneider, I. F.; Laporta, V.

2018-06-01

Cross sections are presented for dissociative recombination and electron-impact vibrational excitation of the ArH+ molecular ion at electron energies appropriate for the interstellar environment. The R-matrix method is employed to determine the molecular structure data, i.e. the position and width of the resonance states. The cross sections and the corresponding Maxwellian rate coefficients are computed using a method based on the Multichannel Quantum Defect Theory. The main result of the paper is the very low dissociative recombination rate found at temperatures below 1000K. This is in agreement with the previous upper limit measurement in merged beams and offers a realistic explanation to the presence of ArH+ in exotic interstellar conditions.

Short-term effect of local muscle vibration treatment versus sham therapy on upper limb in chronic post-stroke patients: a randomized controlled trial.

PubMed

Costantino, Cosimo; Galuppo, Laura; Romiti, Davide

2017-02-01

In recent years, local muscle vibration received considerable attention as a useful method for muscle stimulation in clinical therapy. Some studies described specific vibration training protocol, and few of them were conducted on post-stroke patients. Therefore there is a general uncertainty regarding the vibrations protocol. The aim of this study was to evaluate the effects of local muscle high frequency mechano-acoustic vibratory treatment on grip muscle strength, muscle tonus, disability and pain in post-stroke individuals with upper limb spasticity. Single-blind randomized controlled trial. Outpatient rehabilitation center. Thirty-two chronic poststroke patients with upper-limb spasticity: 21 males, 11 females, mean age 61.59 years ±15.50, time passed from stroke 37.78±17.72 months. The protocol treatment consisted of the application of local muscle vibration, set to a frequency of 300 Hz, for 30 minutes 3 times per week, for 12 sessions, applied to the skin covering the venter of triceps brachii and extensor carpi radialis longus and brevis muscles during voluntary isometric contraction. All participants were randomized in two groups: group A treated with vibration protocol; group B with sham therapy. All participants were evaluated before and after 4-week treatment with Hand Grip Strength Test, Modified Ashworth Scale, QuickDASH score, FIM scale, Fugl-Meyer Assessment, Jebsen-Taylor Hand Function Test and Verbal Numerical Rating Scale of pain. Outcomes between groups was compared using a repeated-measures ANOVA. Over 4 weeks, the values recorded in group A when compared to group B demonstrated statistically significant improvement in grip muscle strength, pain and quality of life and decrease of spasticity; P-values were <0.05 in all tested parameters. Rehabilitation treatment with local muscle high frequency (300 Hz) vibration for 30 minutes, 3 times a week for 4 weeks, could significantly improve muscle strength and decrease muscle tonus, disability and pain in upper limb of hemiplegic post-stroke patients. Local muscle vibration treatment might be an additional and safe tool in the management of chronic poststroke patients, granted its high therapeutic efficiency, limited cost and short and repeatable protocol of use.

Treatment Options for Adults with Snoring

MedlinePlus

... entnet.org . Snoring is a sound produced by vibration of the soft tissues of the upper airway ... in stiffening of the palate, and subsequently, less vibration and flutter that causes snoring. Potential benefits of ...

Theoretical studies of solar-pumped lasers

NASA Astrophysics Data System (ADS)

Harries, Wynford L.

1988-06-01

The investigation of stimulated emission causing transitions from the B(1) pi sub u state of sodium to the overlapping 2(1) sigma(+) sub g electronic state has been continued. A new method of estimating the Franck-Condon factors has been developed which instead of fitting the molecular potential curves with Morse functions, estimates the V(r) dependence by interpolation from given potential curves. The results for the sum of the rates from one vibrational level in the upper state to all the levels in the lower state show good agreement with the previous method, implying that curve crossing by stimulated emission due to photons from the oven is an important mechanism in sodium.

Nuclear spin/parity dependent spectroscopy and predissociation dynamics in vOH = 2 ← 0 overtone excited Ne-H2O clusters: Theory and experiment

NASA Astrophysics Data System (ADS)

Ziemkiewicz, Michael P.; Pluetzer, Christian; Loreau, Jérôme; van der Avoird, Ad; Nesbitt, David J.

2017-12-01

Vibrationally state selective overtone spectroscopy and state- and nuclear spin-dependent predissociation dynamics of weakly bound ortho- and para-Ne-H2O complexes (D0(ortho) = 34.66 cm-1 and D0(para) = 31.67 cm-1) are reported, based on near-infrared excitation of van der Waals cluster bands correlating with vOH = 2 ← 0 overtone transitions (|02-〉 and |02+〉) out of the ortho (101) and para (000) internal rotor states of the H2O moiety. Quantum theoretical calculations for nuclear motion on a high level potential energy surface [CCSD(T)/VnZf12 (n = 3, 4)], corrected for basis set superposition error and extrapolated to the complete basis set (CBS) limit, are employed to successfully predict and assign Π-Σ, Σ-Σ, and Σ-Π infrared bands in the spectra, where Σ or Π represent approximate projections of the body-fixed H2O angular momentum along the Ne-H2O internuclear axis. IR-UV pump-probe experimental capabilities permit real-time measurements of the vibrational predissociation dynamics, which indicate facile intramolecular vibrational energy transfer from the H2O vOH = 2 overtone vibrations into the VdWs (van der Waals) dissociation coordinate on the τprediss = 15-25 ns time scale. Whereas all predicted strong transitions in the ortho-Ne-H2O complexes are readily detected and assigned, vibrationally mediated photolysis spectra for the corresponding para-Ne-H2O bands are surprisingly absent despite ab initio predictions of Q-branch intensities with S/N > 20-40. Such behavior signals the presence of highly selective nuclear spin ortho-para predissociation dynamics in the upper state, for which we offer a simple mechanism based on Ne-atom mediated intramolecular vibrational relaxation in the H2O subunit (i.e., |02±〉 → {|01±〉; v2 = 2}), which is confirmed by the ab initio energy level predictions and the nascent OH rotational (N), spin orbit (Π1/2,3/2), and lambda doublet product distributions.

On the Coriolis effect in acoustic waveguides.

PubMed

Wegert, Henry; Reindl, Leonard M; Ruile, Werner; Mayer, Andreas P

2012-05-01

Rotation of an elastic medium gives rise to a shift of frequency of its acoustic modes, i.e., the time-period vibrations that exist in it. This frequency shift is investigated by applying perturbation theory in the regime of small ratios of the rotation velocity and the frequency of the acoustic mode. In an expansion of the relative frequency shift in powers of this ratio, upper bounds are derived for the first-order and the second-order terms. The derivation of the theoretical upper bounds of the first-order term is presented for linear vibration modes as well as for stable nonlinear vibrations with periodic time dependence that can be represented by a Fourier series.

Robust integral variable structure controller and pulse-width pulse-frequency modulated input shaper design for flexible spacecraft with mismatched uncertainty/disturbance.

PubMed

Hu, Qinglei

2007-10-01

This paper presents a dual-stage control system design method for the flexible spacecraft attitude maneuvering control by use of on-off thrusters and active vibration control by input shaper. In this design approach, attitude control system and vibration suppression were designed separately using lower order model. As a stepping stone, an integral variable structure controller with the assumption of knowing the upper bounds of the mismatched lumped perturbation has been designed which ensures exponential convergence of attitude angle and angular velocity in the presence of bounded uncertainty/disturbances. To reconstruct estimates of the system states for use in a full information variable structure control law, an asymptotic variable structure observer is also employed. In addition, the thruster output is modulated in pulse-width pulse-frequency so that the output profile is similar to the continuous control histories. For actively suppressing the induced vibration, the input shaping technique is used to modify the existing command so that less vibration will be caused by the command itself, which only requires information about the vibration frequency and damping of the closed-loop system. The rationale behind this hybrid control scheme is that the integral variable structure controller can achieve good precision pointing, even in the presence of uncertainties/disturbances, whereas the shaped input attenuator is applied to actively suppress the undesirable vibrations excited by the rapid maneuvers. Simulation results for the spacecraft model show precise attitude control and vibration suppression.

Evaluation of Ho:KPb2Cl5 as a Diode-Pumpable Mid-IR Laser Material

DTIC Science & Technology

2016-09-01

is the decay of the upper laser level without emitting light , due to the simultaneous emission of enough lattice vibrational quanta (phonons) to...have an energy level spacing that can result in emission at the desired laser wavelength, and that state must emit light efficiently. It is also...extremely desirable that it absorb light in the wavelength region where laser diodes operate most efficiently, approximately 800–1000 nm. This enables

Relative Intensity of a Cross-Over Resonance to Lamb Dips Observed in Stark Spectroscopy of Methane

NASA Astrophysics Data System (ADS)

Okuda, Shoko; Sasada, Hiroyuki

2017-06-01

Last ISMS, we reported on Stark effects of the νb{3} band of methane observed with a sub-Doppler resolution spectrometer. We determined the rotation-induced permanent dipole moment (PEDM) in the vibrational ground state and the vibration-, rotation-, and Coriolis-type-interaction-induced PEDMs in the v_{3}=1 state. Figure illustrates Stark modulation spectrum of the Q(6)E with the external electric field of 31.0 kV/cm and the selection rule of Δ M=±1, where M is the magnetic quantum number. The Δ M=1 and -1 components of the Lamb dips labeled by A and B are resolved, and the central component C is identified with the cross-over resonance. The Lamb dips are assigned to the magnetic quantum numbers of the lower and upper states, (M'',M') according to the Clebsch-Gordan coefficients. We found that the relative intensity of the cross-over resonance to the associated Lamb dips depends on the P, Q, and R branches. We ascribe the dependence to the collisional relaxation processes.

First high resolution analysis of the 3ν2 and 3ν2 -ν2 bands of 32S16O2

NASA Astrophysics Data System (ADS)

Ulenikov, O. N.; Bekhtereva, E. S.; Gromova, O. V.; Berezkin, K. B.; Horneman, V.-M.; Sydow, C.; Maul, C.; Bauerecker, S.

2017-11-01

The second bending overtone band 3ν2 of sulfur dioxide has been studied for the first time with high resolution rotation-vibration spectroscopy. The 1530 transitions involving 728 upper state energy levels with Jmax.= 53 and Kamax . = 15 have been assigned to the 3ν2 band. The 746 transitions belonging to the 3ν2 -ν2 "hot" band have been also assigned in the region of 950-1100 cm-1. For the analysis of the assigned transitions, an effective Hamiltonian of an isolated (030) vibrational state (the Watson operator in A-reduction and Ir representation) was used. Set of 9 varied parameters was determined which reproduce the initial experimental data with the drms deviations of 9.0 ×10-4 cm-1 and 9.8 ×10-4 cm-1 for the 3ν2 and 3ν2 -ν2 bands, which are comparable with the experimental uncertainties.

A study of the dynamics and photochemistry of vibrationally excited ozone in the middle atmosphere

NASA Astrophysics Data System (ADS)

Kaufmann, M.; Gil-Lopez, S.; Imk-Iaa Mipas/Envisat Team

The vibrational states of ozone depart from local thermodynamic equilibrium (LTE) due to radiative absorption, chemical pumping, spontaneous emission, and photochemical reaction. The recombination reaction of O+O_2 is the most important source of highly excited ozone, however the distribution of the energy disposal (nascent distribution) is poorly known. In addition, the collisional relaxation scheme is another significant source of uncertainty in the modeling of ozone infrared radiation. We have built a non-LTE model being part of the Generic RAdiative traNsfer AnD non-LTE population Algorithm (GRANADA) that represents the nascent distribution by means of a linear surprisal model. For the collisional relaxation we extrapolate measured rates of the fundamental bands to hot band transitions by using a Landau-Teller type scaling in combination with a relaxation-path dependent energy-gap model. In this talk we present model results in terms of ozone vibrational temperatures and atmospheric limb radiances in the 4-15 μm region. The modeled limb spectra will be compared with measurements from the MIPAS (Michelson Interferometer for Passive Atmosphere Sounding) instrument on board of the polar orbiter ENVISAT. The high spectral resolution of this instrument gives a unique opportunity to observe ozone non-LTE emissions down to the lower stratosphere where ozone densities are high enough to sense even highly excited vibrational states. These give valuable information for the validation of the non-LTE scheme, and therefore will improve the quality of upper mesospheric ozone retrievals.

The red and green lines of atomic oxygen in the nightglow of Venus

NASA Technical Reports Server (NTRS)

Fox, J. L.

1990-01-01

O(1D) and O(1S), the excited states that give rise to the atomic oxygen red and green lines, are produced in the Venus nightglow in dissociative recombination of O2(+). The emissions should also be excited by precipitation of soft electrons, the suggested source of the 'auroral' emission features of atomic oxygen at 1304 and 1356 A, which have been reported from observations of the Pioneer Venus Orbiter Ultraviolet Spectrometer. No emisison at 6300 or 5577 A was detected, however, by the visible spectrophotometers on the Soviet spacecraft Veneras 9 and 10; upper limits have been placed on the intensities of these features. The constraints placed on models for the auroral production mechanism by the Venera upper limits by modeling the intensities of the red and green lines in the nightglow are evaluated, combining a model for the vibrational distribution of O2(+) on the nightside of Venus with rate coefficients recently computed by Guberman for production of O(1S) and O(1D) in dissociative recombination of O2(+) from different vibrational levels. The integrated overhead intensities are 1 - 2 R for the green line and about 46 R for the red line.

VizieR Online Data Catalog: ExoMol line lists. XXIV. SiH (Yurchenko+, 2018)

NASA Astrophysics Data System (ADS)

Yurchenko, S. N.; Sinden, F.; Lodi, L.; Hill, C.; Gorman, M. N.; Tennyson, J.

2017-11-01

The data for each isotopologue are in two parts. The first, s_*.dat contain lists of rovibronic states. Each state is labelled with the total angular momentum, state degeneracy, life time, Zeeman Lande-g factor, total (+/-) and e/f parities, vibrational quantum number, projection of the electronic, spin and total angular momenta. Each state has a unique number, which is the number of the row in which it appears in the file. This number is the means by which the state is related to the second part of the data system, the transitions files. The transition files t_*.dat contain four columns: the reference number in the energy file of the upper state; that of the lower state; the Einstein A coefficient of the transition; the transition wavenumber. (8 data files).

Electric Monopole Transition Strengths in 62Ni

NASA Astrophysics Data System (ADS)

Evitts, L. J.; Garnsworthy, A. B.; Kibédi, T.; Moukaddam, M.; Alshahrani, B.; Eriksen, T. K.; Holt, J. D.; Hota, S. S.; Lane, G. J.; Lee, B. Q.; McCormick, B. P.; Palalani, N.; Reed, M. W.; Stroberg, S. R.; Stuchbery, A. E.

2016-09-01

Excited states in 62Ni were populated with a (p, p') reaction using the 14UD Pelletron accelerator at the Australian National University. Electric monopole transition strengths, ρ2(E0), were measured through simultaneous detection of the internal conversion electrons and γ rays emitted from the de-excitation of populated states, using the Super-e spectrometer coupled with a germanium detector. The strength of the 02+ to 01+ transition has been measured to be 77-34+23 × 10-3 and agrees with previously reported values. Upper limits have been placed on the 03+ to 01+ and 03+ to 02+ transitions. The measured ρ2(E0) value of the 22+ to 21+ transition in 62Ni has been measured for the first time and found to be one of the largest ρ2(E0) values measured to date in nuclei heavier than Ca. The low-lying states of 62Ni have previously been classified as one- and two-phonon vibrational states based on level energies. The measured electric quadrupole transition strengths are consistent with this interpretation. However as electric monopole transitions are forbidden between states which differ by one phonon number, the simple harmonic quadrupole vibrational picture is not suffcient to explain the large ρ2(E0) value for the 22+ to 21+ transition.

Short-Term Effects of Whole-Body Vibration Combined with Task-Related Training on Upper Extremity Function, Spasticity, and Grip Strength in Subjects with Poststroke Hemiplegia: A Pilot Randomized Controlled Trial.

PubMed

Lee, Jung-Sun; Kim, Chang-Yong; Kim, Hyeong-Dong

2016-08-01

The aim of this study was to determine the effect of whole-body vibration training combined with task-related training on arm function, spasticity, and grip strength in subjects with poststroke hemiplegia. Forty-five subjects with poststroke were randomly allocated to 3 groups, each with 15 subjects as follows: control group, whole-body vibration group, and whole-body vibration plus task-related training group. Outcome was evaluated by clinical evaluation and measurements of the grip strength before and 4 weeks after intervention. Our results show that there was a significantly greater increase in the Fugl-Meyer scale, maximal grip strength of the affected hand, and grip strength normalized to the less affected hand in subjects undergoing the whole-body vibration training compared with the control group after the test. Furthermore, there was a significantly greater increase in the Wolf motor function test and a decrease in the modified Ashworth spasticity total scores in subjects who underwent whole-body vibration plus task-related training compared with those in the other 2 groups after the test. The findings indicate that the use of whole-body vibration training combined with task-related training has more benefits on the improvement of arm function, spasticity, and maximal grip strength than conventional upper limb training alone or with whole-body vibration in people with poststroke hemiplegia.

A comparison of whole-body vibration and resistance training on total work in the rotator cuff.

PubMed

Hand, Jason; Verscheure, Susan; Osternig, Louis

2009-01-01

Whole-body vibration machines are a relatively new technology being implemented in the athletic setting. Numerous authors have examined the proposed physiologic mechanisms of vibration therapy and performance outcomes. Changes have mainly been observed in the lower extremity after individual exercises, with minimal attention to the upper extremity and resistance training programs. To examine the effects of a novel vibration intervention directed at the upper extremity as a precursor to a supervised, multijoint dynamic resistance training program. Randomized controlled trial. National Collegiate Athletic Association Division IA institution. Thirteen female student-athletes were divided into the following 2 treatment groups: (1) whole-body vibration and resistance training or (2) resistance training only. Participants in the vibration and resistance training group used an experimental vibration protocol of 2 x 60 seconds at 4 mm and 50 Hz, in a modified push-up position, 3 times per week for 10 weeks, just before their supervised resistance training session. Isokinetic total work measurements of the rotator cuff were collected at baseline and at week 5 and week 10. No differences were found between the treatment groups (P > .05). However, rotator cuff output across time increased in both groups (P < .05). Although findings did not differ between the groups, the use of whole-body vibration as a precursor to multijoint exercises warrants further investigation because of the current lack of literature on the topic. Our results indicate that indirectly strengthening the rotator cuff using a multijoint dynamic resistance training program is possible.

Dynamic characteristics of two new vibration modes of the disk-shell shaped gear

NASA Astrophysics Data System (ADS)

Yan, Litang; Qiu, Shijung; Gao, Xiangqung

1992-10-01

Two new vibration modes of the disk-shell-shaped big medium gears placed on three separate medium shafts of a turboprop engine have been found. They have the same nodal diameters as the conventional ones, but their frequencies are higher. The tooth ring vibrates both radially and axially and has greater deflection than the gear hub. The resonance of these two new nodal diameter modes is much more dangerous than that of the conventional nodal diameter modes. Moreover, they occur nearly at the upper and the lower bounds of the gear operating speed range. A special detuning method is developed for removing the resonance of these two new modes out of the upper and the lower bounds, respectively, and the effectiveness of the damping rings in this case has been researched. The vibration responses measured on the reductor casing have been then reduced to a quite low level after the damping rings were applied to the three big medium gears.

Local vibration inhibits H-reflex but does not compromise manual dexterity and does not increase tremor.

PubMed

Budini, Francesco; Laudani, Luca; Bernardini, Sergio; Macaluso, Andrea

2017-10-01

The present work aimed at investigating the effects of local vibration on upper limb postural and kinetic tremor, on manual dexterity and on spinal reflex excitability. Previous studies have demonstrated a decrease in spinal reflex excitability and in force fluctuations in the lower limb but an increase in force fluctuation in the upper limbs. As hand steadiness is of vital importance in many daily-based tasks, and local vibration may also be applied in movement disorders, we decided to further explore this phenomenon. Ten healthy volunteers (26±3years) were tested for H reflex, postural and kinetic tremor and manual dexterity through a Purdue test. EMG was recorded from flexor carpi radialis (FCR) and extensor digitorum communis (EDC). Measurements were repeated at baseline, after a control period during which no vibration was delivered and after vibration. Intervention consisted in holding for two minutes a vibrating handle (frequency 75Hz, displacement∼7mm), control consisted in holding for two minutes the same handle powered off. Reflex excitability decreased after vibration whilst postural tremor and manual dexterity were not affected. Peak kinetic tremor frequency increased from baseline to control measurements (P=0.002). Co-activation EDC/FCR increased from control to vibration (P=0.021). These results show that two minutes local vibration lead to a decrease in spinal excitability, did not compromise manual dexterity and did not increase tremor; however, in contrast with expectations, tremor did not decrease. It is suggested that vibration activated several mechanisms with opposite effects, which resulted in a neutral outcome on postural and kinetic tremor. Copyright © 2017 Elsevier B.V. All rights reserved.

Energy absorption of seated occupants exposed to horizontal vibration and role of back support condition.

PubMed

Rakheja, Subhash; Mandapuram, Santosh; Dong, Ren G

2008-12-01

Absorbed power characteristics of seated human subjects under fore-aft (x-axis) and lateral (y-axis) vibration are investigated through measurements of dynamic interactions at the two driving-points formed by the body and the seat pan, and upper body and the backrest. The experiments involved: (i) three back support conditions (no back support, and back supported against a vertical and an inclined backrest); (ii) three seat pan heights (425, 390 and 350 mm); and three magnitudes (0.25, 0.5 and 1.0 m/s2 rms acceleration) of band limited random excitations in 0.5-10 Hz frequency range, applied independently along the x- and y- axes. The force responses, measured at the seat pan and the backrest are applied to characterize total energy transfer reflected on the seat pan and the backrest. The mean responses suggest strong contributions due to back support, and direction and magnitude of vibration. In the absence of a back support, the seat pan responses dominated in lower frequency bands centered at 0.63 and 1.25 Hz under both directions of motion. Most significant interactions of the upper body against the back support was observed under fore-aft vibration. The addition of back support caused the seat pan response to converge to a single primary peak near a higher frequency of 4 Hz under x- axis, with only little effect on the y-axis responses. The back support serves as an additional source of vibration to the occupant and an important constraint to limit the fore-aft movement of the upper body and thus relatively higher energy transfer under. The mean responses were further explored to examine the Wd frequency-weighting used for assessing exposure to horizontal vibration. The results show that the current weighting is suited for assessing the vibration exposure of human subjects seated only without a back support.

ExoMol line lists - VII. The rotation-vibration spectrum of phosphine up to 1500 K

NASA Astrophysics Data System (ADS)

Sousa-Silva, Clara; Al-Refaie, Ahmed F.; Tennyson, Jonathan; Yurchenko, Sergei N.

2015-01-01

A comprehensive hot line list is calculated for 31PH3 in its ground electronic state. This line list, called SAlTY, contains almost 16.8 billion transitions between 7.5 million energy levels and it is suitable for simulating spectra up to temperatures of 1500 K. It covers wavelengths longer than 1 μm and includes all transitions to upper states with energies below hc × 18 000 cm-1 and rotational excitation up to J = 46. The line list is computed by variational solution of the Schrödinger equation for the rotation-vibration motion employing the nuclear-motion program TROVE. A previously reported ab initio dipole moment surface is used as well as an updated `spectroscopic' potential energy surface, obtained by refining an existing ab initio surface through least-squares fitting to the experimentally derived energies. Detailed comparisons with other available sources of phosphine transitions confirms SAlTY's accuracy and illustrates the incompleteness of previous experimental and theoretical compilations for temperatures above 300 K. Atmospheric models are expected to severely underestimate the abundance of phosphine in disequilibrium environments, and it is predicted that phosphine will be detectable in the upper troposphere of many substellar objects. This list is suitable for modelling atmospheres of many astrophysical environments, namely carbon stars, Y dwarfs, T dwarfs, hot Jupiters and Solar system gas giant planets. It is available in full from the Strasbourg data centre, CDS, and at www.exomol.com.

Computational study of the rovibrational spectrum of CO₂-CS₂.

PubMed

Brown, James; Wang, Xiao-Gang; Carrington, Tucker; Grubbs, G S; Dawes, Richard

2014-03-21

A new intermolecular potential energy surface, rovibrational transition frequencies, and line strengths are computed for CO2-CS2. The potential is made by fitting energies obtained from explicitly correlated coupled-cluster calculations using an interpolating moving least squares method. The rovibrational Schrödinger equation is solved with a symmetry-adapted Lanczos algorithm and an uncoupled product basis set. All four intermolecular coordinates are included in the calculation. In agreement with previous experiments, the global minimum of the potential energy surface (PES) is cross shaped. The PES also has slipped-parallel minima. Rovibrational wavefunctions are localized in the cross minima and the slipped-parallel minima. Vibrational parent analysis was used to assign vibrational labels to rovibrational states. Tunneling occurs between the two cross minima. Because more than one symmetry operation interconverts the two wells, the symmetry (-oo) of the upper component of the tunneling doublet is different from the symmetry (-ee) of the tunneling coordinate. This unusual situation is due to the multidimensional nature of the double well tunneling. For the cross ground vibrational state, calculated rotational constants differ from their experimental counterparts by less than 0.0001 cm(-1). Most rovibrational states were found to be incompatible with the standard effective rotational Hamiltonian often used to fit spectra. This appears to be due to coupling between internal and overall rotation of the dimer. A simple 2D model accounting for internal rotation was used for two cross-shaped fundamentals to obtain good fits.

Boson peak and Ioffe-Regel criterion in amorphous siliconlike materials: The effect of bond directionality.

PubMed

Beltukov, Y M; Fusco, C; Parshin, D A; Tanguy, A

2016-02-01

The vibrational properties of model amorphous materials are studied by combining complete analysis of the vibration modes, dynamical structure factor, and energy diffusivity with exact diagonalization of the dynamical matrix and the kernel polynomial method, which allows a study of very large system sizes. Different materials are studied that differ only by the bending rigidity of the interactions in a Stillinger-Weber modelization used to describe amorphous silicon. The local bending rigidity can thus be used as a control parameter, to tune the sound velocity together with local bonds directionality. It is shown that for all the systems studied, the upper limit of the Boson peak corresponds to the Ioffe-Regel criterion for transverse waves, as well as to a minimum of the diffusivity. The Boson peak is followed by a diffusivity's increase supported by longitudinal phonons. The Ioffe-Regel criterion for transverse waves corresponds to a common characteristic mean-free path of 5-7 Å (which is slightly bigger for longitudinal phonons), while the fine structure of the vibrational density of states is shown to be sensitive to the local bending rigidity.

Gas Phase Molecular Spectroscopy: Electronic Spectroscopy of Combustion Intermediates, Chlorine Azide kinetics, and Rovibrational Energy Transfer in Acetylene

NASA Astrophysics Data System (ADS)

Freel, Keith A.

This dissertation is composed of three sections. The first deals with the electronic spectroscopy of combustion intermediates that are related to the formation of polycyclic aromatic hydrocarbons. Absorption spectra for phenyl, phenoxy, benzyl, and phenyl peroxy radicals were recorded using the technique of cavity ring-down spectroscopy. When possible, molecular constants, vibrational frequencies, and excited state lifetimes for these radicals were derived from these data. The results were supported by theoretical predictions. The second section presents a study of electron attachment to chlorine azide (ClN3) using a flowing-afterglow Langmuir-probe apparatus. Electron attachment rates were measured to be 3.5x10-8 and 4.5x10-8 cm3s-1 at 298 and 400 K respectively. The reactions of ClN3 with eighteen cations and seventeen anions were characterized. Rate constants were measured using a selected ion flow tube. The ionization energy (>9.6eV), proton affinity (713+/-41 kJ mol-1), and electron affinity (2.48+/-0.2 eV) for ClN 3 were determined from these data. The third section demonstrates the use of double resonance spectroscopy to observe state-selected rovibrational energy transfer from the first overtone asymmetric stretch of acetylene. The total population removal rate constants from various rotational levels of the (1,0,1,00,00) vibrational state were determined to be in the range of (9-17) x 10 -10 cm3s-1. Rotational energy transfer accounted for approximately 90% of the total removal rate from each state. Therefore, the upper limit of vibrational energy transfer from the (1,0,1,0 0,00) state was 10%.

Torsion-rotation structure and quasi-symmetric-rotor behaviour for the CH3SH asymmetric CH3-bending and C-H stretching bands of E parentage

NASA Astrophysics Data System (ADS)

Lees, R. M.; Xu, Li-Hong; Guislain, B. G.; Reid, E. M.; Twagirayezu, S.; Perry, D. S.; Dawadi, M. B.; Thapaliya, B. P.; Billinghurst, B. E.

2018-01-01

High-resolution Fourier transform spectra of the asymmetric methyl-bending and methyl-stretching bands of CH3SH have been recorded employing synchrotron radiation at the FIR beamline of the Canadian Light Source. Analysis of the torsion-rotation structure and relative intensities has revealed the novel feature that for both bend and stretch the in-plane and out-of-plane modes behave much like a Coriolis-coupled l-doublet pair originating from degenerate E modes of a symmetric top. As the axial angular momentum K increases, the energies of the coupled "l = ±1" modes diverge linearly, with effective Coriolis ζ constants typical for symmetric tops. For the methyl-stretching states, separated at K = 0 by only about 1 cm-1, the assigned sub-bands follow a symmetric top Δ(K - l) = 0 selection rule, with only ΔK = -1 transitions observed to the upper l = -1 in-plane A‧ component and only ΔK = +1 transitions to the lower l = +1 out-of-plane A″ component. The K = 0 separation of the CH3-bending states is larger at 9.1 cm-1 with the l-ordering reversed. Here, both ΔK = +1 and ΔK = -1 transitions are seen for each l-component but with a large difference in relative intensity. Term values for the excited state levels have been fitted to J(J + 1) power-series expansions to obtain substate origins. These have then been fitted to a Fourier model to characterize the torsion-K-rotation energy patterns. For both pairs of vibrational states, the torsional energies display the customary oscillatory behaviour as a function of K and have inverted torsional splittings relative to the ground state. The spectra show numerous perturbations, indicating local resonances with the underlying bath of high torsional levels and vibrational combination and overtone states. The overall structure of the two pairs of bands represents a new regime in which the vibrational energy separations, torsional splittings and shifts due to molecular asymmetry are all of the same order, creating a challenging and complex vibration-torsion-rotation coupling environment.

The Shock and Vibration Bulletin. Part 3. Skylab, Vibration Testing and Analysis

DTIC Science & Technology

1973-06-01

Zft- ,Instrument Unit - (Acoustic Test Only) -orward Compartment Crew Ouarters Meteoroid Shield IntertageTACS Spheres (Acoustic Tesi - Radiator...weighs more than the lower floor. You Mru ertes: You hadn’t flown this struc- might feel that since the analysis approach wasconfirmed on the upper floor

VizieR Online Data Catalog: CH4 and hot methane continuum hybrid line list (Yurchenko+, 2017)

NASA Astrophysics Data System (ADS)

Yurchenko, S. N.; Amundsen, D. S.; Tennyson, J.; Waldmann, I. P.

2017-07-01

The states file ch4_e50.dat contains a list of rovibrational states. Each state is labelled with: nine normal mode vibrational quantum numbers and the vibrational symmetry; three rotational quantum numbers including the total angular momentum J and rotational symmetry; the total symmetry quantum number Gamma and the running number in the same (J,Gamma) block. In addition there are nine local mode vibrational numbers and the largest coefficient used to assign the state in question. Each rovibrational state has a unique number, which is the number of the row in which it appears in the file. This number is the means by which the state is related to the second part of the data system, the transitions files. The total degeneracy is also given to facilitate the intensity calculations. Because of their size, the transitions are listed in 120 separate files, each containing all the transitions in a 100cm-1 frequency range. These transition files t_*.dat contain the strong methane lines lines consisting of three columns: the reference number in the energy file of the upper state, that of the lower state, the Einstein A coefficient of the transition and the transition wavenumber. These entries are ordered by increasing frequency. The name of the file includes the lowest frequency in the range; thus the t-00500.dat file contains all the transitions in the frequency range 500-600cm-1. 19 histograms xYYYYK.dat files contain CH4_ super-lines representing the continuum computed at the temperature T=YYYYK using R=1000000 (7090081 super-lines each) covering the wavenumber range from 10 to 12000cm-1. The energy file, the transitions files and the histograms files are bzipped, and need to be extracted before use. The pressure broadening parameters used in the calculations are listed in broad.dat. A programme ExoCross to generate synthetic spectra from these line lists can be obtained at www.exomol.com. (4 data files).

Intrinsic non-radiative voltage losses in fullerene-based organic solar cells

NASA Astrophysics Data System (ADS)

Benduhn, Johannes; Tvingstedt, Kristofer; Piersimoni, Fortunato; Ullbrich, Sascha; Fan, Yeli; Tropiano, Manuel; McGarry, Kathryn A.; Zeika, Olaf; Riede, Moritz K.; Douglas, Christopher J.; Barlow, Stephen; Marder, Seth R.; Neher, Dieter; Spoltore, Donato; Vandewal, Koen

2017-06-01

Organic solar cells demonstrate external quantum efficiencies and fill factors approaching those of conventional photovoltaic technologies. However, as compared with the optical gap of the absorber materials, their open-circuit voltage is much lower, largely due to the presence of significant non-radiative recombination. Here, we study a large data set of published and new material combinations and find that non-radiative voltage losses decrease with increasing charge-transfer-state energies. This observation is explained by considering non-radiative charge-transfer-state decay as electron transfer in the Marcus inverted regime, being facilitated by a common skeletal molecular vibrational mode. Our results suggest an intrinsic link between non-radiative voltage losses and electron-vibration coupling, indicating that these losses are unavoidable. Accordingly, the theoretical upper limit for the power conversion efficiency of single-junction organic solar cells would be reduced to about 25.5% and the optimal optical gap increases to 1.45-1.65 eV, that is, 0.2-0.3 eV higher than for technologies with minimized non-radiative voltage losses.

Cough induced by mechanical stimulation of the upper airway in humans.

PubMed

Lee, Patrick; Eccles, Ronald

2004-08-01

Cough has previously been induced in animals by means of mechanical stimulation of the upper airway but this method has not previously been applied to humans. The aims of this study were to determine if cough could be induced in humans on mechanical stimulation of the upper airway and to see if this mechanically induced cough was reproducible. We also wished to investigate if there was any difference in cough sensitivity between healthy subjects and those with acute upper respiratory tract infection (URTI). In the first investigation, 2 groups were studied: 15 healthy subjects and 30 subjects with URTI with a mean age of 20 years. Cough was induced by vibration of the airway at the level of the trachea using a modified men's shaver. In the second investigation to determine the reproducibility of this mechanically induced cough, two groups from a different population were studied: 15 healthy subjects and 29 subjects with URTI with a mean age of 20.3 years. Cough was induced by airway vibration before and after a 90-min rest period. In the first investigation it was demonstrated that cough can be induced within 2 s of vibration; subjects with URTI are more sensitive to cough induction and cough approximately five times more than healthy subjects; cough increases with repeated stimulation and reaches a maximum after three periods of vibration; the cough response may be mediated by rapidly adapting airway sensory receptors. In the second investigation there was no significant difference in mean cough counts before and after a 90-min rest period in both groups, which demonstrates that the mechanically induced cough is reproducible. This is the first study to elicit cough in humans by mechanical stimulation of the upper airway. This new method of inducing cough in subjects with URTI may be useful for studying both the mechanism of cough and the effects of antitussive medicines.

Temperature dependent of IVR investigated by steady-state and time-frequency resolved CARS for liquid nitrobenzene and nitromethane

NASA Astrophysics Data System (ADS)

Yang, Yanqiang; Zhu, Gangbei; Yan, Lin; Liu, Xiaosong; Yang's Ultrafast Spectroscopy Group Team

2017-06-01

Intramolecular vibrational energy redistribution (IVR) is important process in thermal decomposition, shock chemistry and photochemistry. Anti-Stokes Raman scattering is sensitive to the vibrational population in excited states because only vibrational excited states are responsible to the anti-Stokes Raman scattering, does not vibrational ground states. In this report, steady-state anti-Stokes Raman spectroscopy and broad band ultrafast coherent anti-Stokes Raman scattering (CARS) are performed. The steady-state anti-Stokes Raman spectroscopy shows temperature dependent of vibrational energy redistribution in vibrational excited-state molecule, and reveal that, in liquid nitrobenzene, with temperature increasing, vibrational energy is mainly redistributed in NO2 symmetric stretching mode, and phenyl ring stretching mode of νCC. For liquid nitromethane, it is found that, with temperature increasing, vibrational energy concentrate in CN stretching mode and methyl umbrella vibrational mode. In the broad band ultrafast CARS experiment, multiple vibrational modes are coherently excited to vibrational excited states, and the time-frequency resolved CARS spectra show the coincident IVR processes. This work is supported by the National Natural Science Foundation of China (Grant Numbers 21673211 and 11372053), and the Science Challenging Program (Grant Number JCKY2016212A501).

Vibration characterization and control of miniature Stirling-cycle cryocoolers for space application

NASA Technical Reports Server (NTRS)

Ross, R. G., Jr.; Johnson, D. L.; Kotsubo, V.

1991-01-01

This paper provides a summary overview of the vibration characteristics of split Stirling cryocoolers of the Oxford type and describes means being developed to achieve vibration levels consistent with the exacting requirements of sensitive infrared spectrometer instruments currently under development for NASA applications. A key emphasis of the paper is on exploring both active and passive means of reducing the residual upper harmonics of the drive frequency that remain with nulled back-to-back compressor and displacer units. Vibration supression results, measured with JPL's unique six-DOF force dynamometer, are presented for an 80 K Stirling cooler.

Multi-Exciter Vibroacoustic Simulation of Hypersonic Flight Vibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

GREGORY,DANNY LYNN; CAP,JEROME S.; TOGAMI,THOMAS C.

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.

Magnetic force driven six degree-of-freedom active vibration isolation system using a phase compensated velocity sensor.

PubMed

Kim, Yongdae; Kim, Sangyoo; Park, Kyihwan

2009-04-01

A six-axis active vibration isolation system (AVIS) is developed using voice coil actuators. Point contact configuration is employed to have an easy assembly of eight voice coil actuators to an upper and a base plates. The velocity sensor, using an electromagnetic principle that is commonly used in the vibration control, is investigated since its phase lead characteristic causes an instability problem for a low frequency vibration. The performances of the AVIS are investigated in the frequency domain and finally validated by comparing with the passive isolation system using the atomic force microscope images.

[Contemporary approach to evaluation of sensory disorders in polyneuropathy due to vibration].

PubMed

Nepershina, C P; Lagutina, G N; Kuzmina, L P; Skrypnik, O V; Ryabininal, S N; Lagutina, A P

2016-08-01

Recently, the studies search possibilities to visualize and objectify sensory disorders in polyneuropathy caused by vibration. Special attention is paid on studies of injuried structures responsible for temperature and pain sensitivity. Examination covered 92 patients with vibration disease, aged 34 to 73 years. Methods used are: pallesthesiometry, quantitative sensory tests, questionnaires and s 'cales of pain (visual analog scale (VAS) of pain, Pain-Detect, MPQ DN-, HADS). Correlation was found between.temperature, pain thresholds and VAS and pallesthesiometry parameters. The obtained results analysis indicates formation distal polyneuropathy syndrome of upper limbs with concomitant pain during vibration disease.

Upper-limb tremor suppression with a 7DOF exoskeleton power-assist robot.

PubMed

Kiguchi, Kazuo; Hayashi, Yoshiaki

2013-01-01

A tremor which is one of the involuntary motions is somewhat rhythmic motion that may occur in various body parts. Although there are several kinds of the tremor, an essential tremor is the most common tremor disorder of the arm. The essential tremor is a disorder of unknown cause, and it is common in the elderly. The essential tremor interferes with a patient's daily living activity, because it may occur during a voluntary motion. If a patient of an essential tremor uses an EMG-based controlled power-assist robot, the robot might misunderstand the user's motion intention because of the effect of the essential tremor. In that case, upper-limb power-assist robots must carry out tremor suppression as well as power-assist, since a person performs various precise tasks with certain tools by the upper-limb in daily living. Therefore, it is important to suppress the tremor at the hand and grasped tool. However, in the case of the tremor suppression control method which suppressed the vibrations of the hand and the tip of the tool, vibration of other part such as elbow might occur. In this paper, the tremor suppression control method for upper-limb power-assist robot is proposed. In the proposed method, the vibration of the elbow is suppressed in addition to the hand and the tip of the tool. The validity of the proposed method was verified by the experiments.

Vibration-induced multifocal neuropathy in forestry workers: electrophysiological findings in relation to vibration exposure and finger circulation.

PubMed

Bovenzi, M; Giannini, F; Rossi, S

2000-11-01

To investigate neural conduction in the upper limbs of symptomatic forestry workers with and without exposure to hand-transmitted vibration. A further aim was to assess the possible relationships between vibration exposure, nerve conduction and finger circulation in the forestry workers who used chain saws. A detailed neurophysiological investigation was performed on the upper extremities of 20 chain saw workers, 20 forestry operators with heavy manual work but without vibration exposure, and 20 healthy male controls. All subjects were screened to exclude polyneuropathy. Measurements of sensory and motor nerve conduction (velocity and amplitude) were obtained bilaterally from the median, ulnar and radial nerves. To assess peripheral vascular function, the forestry workers underwent a cold test with plethysmographic measurement of finger systolic blood pressure (FSBP). In the chain saw operators, vibration exposure was evaluated according to the International Standard ISO 5349. Indices of daily vibration exposure and lifetime cumulative vibration dose were estimated for each chain saw operator. Sensory nerve conduction in several segments of the median and radial nerves was significantly reduced in the chain saw operators compared with that in the workers doing heavy manual work and the controls. The neurophysiological pattern more frequently observed in the chain saw operators was a multifocal nerve conduction impairment to several neural segments with predominant involvement of sensory rather than motor fibres. Sensory nerve conduction velocities in the hands of the chain saw operators were inversely related to both daily and lifetime cumulative vibration exposures. In the vibration-exposed forestry workers, neither were sensori-motor complaints associated with vascular symptoms (finger whiteness) nor were electrophysiological data related to cold-induced changes in FSBP. Exposure to hand-transmitted vibration, in addition to ergonomic stress factors, can contribute to peripheral nerve disorders occurring in forestry workers who operate chain saws. The findings of this study suggest the existence of an exposure-effect relationship for vibration-induced neuropathy. Different underlying mechanisms are likely to be involved in the pathogenesis of the neurological and vascular components of the hand-arm vibration syndrome.

The ν 3 and 2ν 3 bands of 32S 16O 3, 32S 18O 3, 34S 16O 3, and 34S 18O 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharpe, Steven W.; Blake, Thomas A.; Sams, Robert L.

2003-12-01

The fifth of a series of publications on the high resolution rotation-vibration spectra of sulfur trioxide reports the results of a systematic study of the v3(é) and 2v3(A1'+E') infrared bands of the four symmetric top isotopomers 32S 16O 3, 34S 16O 3, 32S 18O 3, and 34S 18O 3. An internal coupling between the l = 0 and l = +2 levels of the 2v3 (A1'+E') states was observed. This small perturbation results in a level crossing between K-l = 9 and 12, in consequence of which the band origins of the A1', l=0 “ghost” states could be determined tomore » a high degree of accuracy. Ground and upper state rotational as well as vibrational anharmonicity constants are reported. The constants for the center-of-mass substituted species 32S 16O 3 and 34S 16O 3 vary only slightly, as do the constants for the 32S 18O 3, 34S 18O 3 pair. The S-O bond lengths for the vibrational ground states of the species 32S 16O 3, 34S 16O 3, 32S 18O 3 and 34S 18O 3, are, respectively, 141.981992(6), 141.979412(20), 150.605240(73), and 150.602348(73) pm, where the uncertainties, given in parentheses, are two standard deviations and refer to the last digits of the associated quantity.« less

Whole-body vibration improves neuromuscular parameters and functional capacity in osteopenic postmenopausal women.

PubMed

Dutra, Milena C; de Oliveira, Mônica L; Marin, Rosangela V; Kleine, Hellen C R; Silva, Orivaldo L; Lazaretti-Castro, Marise

2016-08-01

In this longitudinal, paired-control study, we developed special vibration platforms to evaluate the effects of low-intensity vibration on neuromuscular function and functional capacity in osteopenic postmenopausal women. Women in the platform group (PG; n = 62) stood still and barefoot on the platform for 20 minutes, 5 times a week for 12 months. Each platform vibrated with a frequency of 60 Hz, intensity of 0.6g, and amplitude of less than 1 mm. Women in the control group (CG; n = 60) were followed up and instructed not to modify their physical activity during the study. Every 3 months all volunteers were invited to a visit to check for any change in their lifestyle. Assessments were performed at baseline and at 12 months, and included isometric muscle strength in the hip flexors and back extensors, right handgrip strength, dynamic upper limb strength (arm curl test), upper trunk flexibility (reach test [RT]), mobility (timed up and go test), and static balance (unipedal stance test). Statistical analyses were performed using the intention-to-treat strategy. Both groups were similar for all variables at baseline. At the end of intervention, the PG was significantly better than CG in all parameters but in the RT. When compared with baseline, after 12 months of vibration the PG presented statistically significant improvements in isometric and dynamic muscle strength in the hip flexors (+36.7%), back extensors (+36.5%), handgrip strength (+4.4%), arm curl test (+22.8%), RT (+9.9%), unipedal stance test (+6.8%), and timed up and go test (-9.2%), whereas the CG showed no significant differences during the same period of time. As such, there were no side effects related to the study procedures during the 12 months of intervention. Low-intensity vibration improved balance, motility, and muscle strength in the upper and lower limbs in postmenopausal women.

Diagnosing soft tissue rheumatic disorders of the upper limb in epidemiological studies of vibration-exposed populations

PubMed Central

Palmer, Keith T

2013-01-01

Objectives To investigate approaches adopted to diagnose soft tissue rheumatic disorders of the upper limb (ULDs) in vibration-exposed populations and in other settings, and to compare their methodological qualities. Methods Systematic searches were made of the Medline, Embase, and CINAHL electronic bibliographic databases, and of various supplementary sources (textbooks, reviews, conference and workshop proceedings, personal files). For vibration-exposed populations, qualifying papers were scored in terms of the provenance of their measuring instruments (adequacy of documentation, standardisation, reliability, criterion-related and content validity). Similar criteria were applied to general proposals for whole diagnostic schemes, and evidence was collated on the test-retest reliability of symptom histories and clinical signs. Results In total, 23 relevant reports were identified concerning vibration-exposed populations - 21 involving symptoms and 9 involving examination/diagnosis. Most of the instruments employed scored poorly in terms of methodological quality. The search also identified, from the wider literature, more than a dozen schemes directed at classifying ULDs, and 18 studies of test-retest reliability of symptoms and physical signs in the upper limb. Findings support the use of the standardised Nordic questionnaire for symptom inquiry and suggest that a range of physical signs can be elicited with reasonable between-observer agreement. Four classification schemes rated well in terms of content validity. One of these had excellent documentation, and one had been tested for repeatability, agreement with an external reference standard, and utility in distinguishing groups that differed in disability, prognosis and associated risk factors. Conclusions Hitherto, most studies of ULDs in vibration-exposed populations have used custom-specified diagnostic methods, poorly documented, and non-stringent in terms of standardisation and supporting evidence of reliability and/or validity. The broader literature contains several question sets and procedures that improve upon this, and offer scope in vibration-exposed populations to diagnose ULDs more systematically. PMID:17909839

Focal Muscle Vibration and Physical Exercise in Postmastectomy Recovery: An Explorative Study

PubMed Central

Fara, Maria Antonietta; Filippi, Guido Maria; La Torre, Giuseppe; Tozzi, Roberto; Vanacore, Nicola

2017-01-01

Background. Physical activity initiation and maintenance are particular challenges in the postmastectomy recovery and in particular Dragon Boat racing seems to be a useful sport activity. The aim of this study was to evaluate the role of focal muscle vibration as a proprioceptive input to improve upper limb functioning in a group of “paddlers” patients. Methods. A group of paddlers has been evaluated before vibratory treatment (T0), immediately after therapy (T1), after one week (T2), and after one month (T3) with DASH questionnaire, Body Image Scale, McGill pain questionnaire, Constant Scale, and Short Form 36 questionnaire. Results. Fourteen patients showed a significant reduction in disability score (p = 0,001) using DASH scale, an improvement of upper limb function (p = 0,001) using the Constant scale, and a reduction of pain (p = 0,007) at the McGill pain questionnaire. The Mental Composite Score of the Short Form 36 questionnaire showed significant results (p = 0,04) while no significant results had been found regarding the physical mental score (p = 0,08). Conclusion. Focal muscle vibration may be a useful treatment in a postmastectomy recovery of upper limb functionality. PMID:28459068

Forced vibrations of a two-layered shell in the case of viscous resistance

NASA Astrophysics Data System (ADS)

Aghalovyan, L. A.; Ghulghazaryan, L. G.

2018-04-01

Forced vibrations of a two-layered orthotropic shell are studied in the case of viscous resistance in the lower layer of the shell. Two versions of spatial boundary conditions on the upper surface of the shell are posed, and the displacement vector is given on the lower surface. An asymptotic method is used to solve the corresponding dynamic equations and relations of the three-dimensional problem of elasticity. The amplitudes of the forced vibrations are determined, and the resonance conditions are established.

Random vibration (stress screening) of printed wiring assemblies

NASA Technical Reports Server (NTRS)

Bastien, Gilbert J.

1988-01-01

The results of a random vibration test screening (RVSS) study of the determination of the upper and lower vibration limits on printed wiring assemblies (PWA) are summarized. The study results are intended to serve as a guide for engineers and designers who make decisions on PWA features that need to withstand the stresses of dynamic testing and screening. The maximum allowable PWA deflection, G levels, and PSD levels are compared to the expected or actual levels to determine if deleterious effects will occur.

Evidence of a significant rotational non-LTE effect in the CO2 4.3 µm PFS-MEX limb spectra

NASA Astrophysics Data System (ADS)

Kutepov, Alexander A.; Rezac, Ladislav; Feofilov, Artem G.

2017-01-01

Since January 2004, the planetary Fourier spectrometer (PFS) on board the Mars Express satellite has been recording near-infrared limb spectra of high quality up to the tangent altitudes ≈ 150 km, with potential information on density and thermal structure of the upper Martian atmosphere. We present first results of our modeling of the PFS short wavelength channel (SWC) daytime limb spectra for the altitude region above 90 km. We applied a ro-vibrational non-LTE model based on the stellar astrophysics technique of accelerated lambda iteration (ALI) to solve the multi-species and multi-level CO2 problem in the Martian atmosphere. We show that the long-standing discrepancy between observed and calculated spectra in the cores and wings of 4.3 µm region is explained by the non-thermal rotational distribution of molecules in the upper vibrational states 10011 and 10012 of the CO2 main isotope second hot (SH) bands above 90 km altitude. The redistribution of SH band intensities from band branch cores into their wings is caused (a) by intensive production of the CO2 molecules in rotational states with j > 30 due to the absorption of solar radiation in optically thin wings of 2.7 µm bands and (b) by a short radiative lifetime of excited molecules, which is insufficient at altitudes above 90 km for collisions to maintain rotation of excited molecules thermalized. Implications for developing operational algorithms for massive processing of PFS and other instrument limb observations are discussed.

A Comparison of Whole-Body Vibration and Resistance Training on Total Work in the Rotator Cuff

PubMed Central

Hand, Jason; Verscheure, Susan; Osternig, Louis

2009-01-01

Abstract Context: Whole-body vibration machines are a relatively new technology being implemented in the athletic setting. Numerous authors have examined the proposed physiologic mechanisms of vibration therapy and performance outcomes. Changes have mainly been observed in the lower extremity after individual exercises, with minimal attention to the upper extremity and resistance training programs. Objective: To examine the effects of a novel vibration intervention directed at the upper extremity as a precursor to a supervised, multijoint dynamic resistance training program. Design: Randomized controlled trial. Setting: National Collegiate Athletic Association Division IA institution. Patients or Other Participants: Thirteen female student-athletes were divided into the following 2 treatment groups: (1) whole-body vibration and resistance training or (2) resistance training only. Intervention(s): Participants in the vibration and resistance training group used an experimental vibration protocol of 2 × 60 seconds at 4 mm and 50 Hz, in a modified push-up position, 3 times per week for 10 weeks, just before their supervised resistance training session. Main Outcome Measure(s): Isokinetic total work measurements of the rotator cuff were collected at baseline and at week 5 and week 10. Results: No differences were found between the treatment groups (P > .05). However, rotator cuff output across time increased in both groups (P < .05). Conclusions: Although findings did not differ between the groups, the use of whole-body vibration as a precursor to multijoint exercises warrants further investigation because of the current lack of literature on the topic. Our results indicate that indirectly strengthening the rotator cuff using a multijoint dynamic resistance training program is possible. PMID:19771284

[Constitutional factors of resistance to the effects of local vibration].

PubMed

Shalaurov, A V; Shchedrina, A G

1989-01-01

The study directed at the improvement of vibration disease prevention shows that not only functional, but also constitutional and somatotypologic body characteristics should be taken into account in predicting resistance to the impact of local occupational vibration. Such approach is specified by the fact that the relation of the main body components affects the amount of the zone of tissues and organs involved into vibration process. The study of 300 assemblerriveters and metal workers engaged in mechanical assembly shows that workers with elevated content of fat tissue and relatively small amount of osteal and muscular tissue, i.e., representatives of the abdominal somatype, are most resistant to local vibration. When the content of osteal and muscular components increases and that of the fat one decreases (thoracic somatotype), resistance to local vibration experiences a significant decline. The dimensions of skin and fat folds of upper extremities are greatly correlated to local vibration resistance.

Ab initio-informed maximum entropy modeling of rovibrational relaxation and state-specific dissociation with application to the O2 + O system

NASA Astrophysics Data System (ADS)

Kulakhmetov, Marat; Gallis, Michael; Alexeenko, Alina

2016-05-01

Quasi-classical trajectory (QCT) calculations are used to study state-specific ro-vibrational energy exchange and dissociation in the O2 + O system. Atom-diatom collisions with energy between 0.1 and 20 eV are calculated with a double many body expansion potential energy surface by Varandas and Pais [Mol. Phys. 65, 843 (1988)]. Inelastic collisions favor mono-quantum vibrational transitions at translational energies above 1.3 eV although multi-quantum transitions are also important. Post-collision vibrational favoring decreases first exponentially and then linearly as Δv increases. Vibrationally elastic collisions (Δv = 0) favor small ΔJ transitions while vibrationally inelastic collisions have equilibrium post-collision rotational distributions. Dissociation exhibits both vibrational and rotational favoring. New vibrational-translational (VT), vibrational-rotational-translational (VRT) energy exchange, and dissociation models are developed based on QCT observations and maximum entropy considerations. Full set of parameters for state-to-state modeling of oxygen is presented. The VT energy exchange model describes 22 000 state-to-state vibrational cross sections using 11 parameters and reproduces vibrational relaxation rates within 30% in the 2500-20 000 K temperature range. The VRT model captures 80 × 106 state-to-state ro-vibrational cross sections using 19 parameters and reproduces vibrational relaxation rates within 60% in the 5000-15 000 K temperature range. The developed dissociation model reproduces state-specific and equilibrium dissociation rates within 25% using just 48 parameters. The maximum entropy framework makes it feasible to upscale ab initio simulation to full nonequilibrium flow calculations.

Approximate classification of mining tremors harmfulness based on free-field and building foundation vibrations

NASA Astrophysics Data System (ADS)

Kuzniar, Krystyna; Stec, Krystyna; Tatara, Tadeusz

2018-04-01

The paper compares the results of an approximate evaluation of mining tremors harmfulness performed on the basis of free-field and simultaneously measured building foundation vibrations. The focus is on the office building located in the Upper Silesian Basin (USB). The empirical Mining Intensity Scale GSI-GZWKW-2012 has been applied to classify the harmfulness of the rockbursts. This scale is based on the measurements of free-field vibrations but, for research purposes, it was also used in the cases of building foundation vibrations. The analysis was carried out using the set of 156 pairs ground - foundation of velocity vibration records as well as the set of 156 pairs of acceleration records induced by the same mining tremors.

Infrared radiative decay dynamics from the γ 1u (3P2), H 1u (3P1), and 1u (1D2) ion-pair states of I2 observed by a perturbation facilitated optical-optical double resonance technique

NASA Astrophysics Data System (ADS)

Hoshino, Shoma; Araki, Mitsunori; Nakano, Yukio; Ishiwata, Takashi; Tsukiyama, Koichi

2016-01-01

We report the spectroscopic and temporal analyses on the amplified spontaneous emission (ASE) from the single rovibrational levels of the Ω = 1u ion-pair series, γ 1u (3P2), H 1u (3P1), and 1u (1D2), of I2 by using a perturbation facilitated optical-optical double resonance technique through the c 1 Π g ˜ B 3 Π ( 0u + ) hyperfine mixed valence state as the intermediate state. The ASE detected in the infrared region was assigned to the parallel transitions from the Ω = 1u ion-pair states down to the nearby Ω = 1g ion-pair states. The subsequent ultraviolet (UV) fluorescence from the Ω = 1g states was also observed and the relative vibrational populations in the Ω = 1g states were derived through the Franck-Condon simulation of the intensity pattern of the vibrational progression. In the temporal profiles of the UV fluorescence, an obvious delay in the onset of the fluorescence was recognized after the excitation laser pulse. These results revealed that ASE is a dominant energy relaxation process between the Ω = 1u and 1g ion-pair states of I2. Finally, the lifetimes of the relevant ion-pair states were evaluated by temporal analyses of the UV fluorescence. The propensity was found which was the longer lifetime in the upper level of the ASE transitions tends to give intense ASE.

Environmental protection requirements for scout/shuttle auxiliary stages

NASA Technical Reports Server (NTRS)

Qualls, G. L.; Kress, S. S.; Storey, W. W.; Ransdell, P. N.

1980-01-01

The requirements for enabling the Scout upper stages to endure the expected temperature, mechanical shock, acoustical and mechanical vibration environments during a specified shuttle mission were determined. The study consisted of: determining a shuttle mission trajectory for a 545 kilogram (1200 pound) Scout payload; compilation of shuttle environmental conditions; determining of Scout upper stages environments in shuttle missions; compilation of Scout upper stages environmental qualification criteria and comparison to shuttle mission expected environments; and recommendations for enabling Scout upper stages to endure the exptected shuttle mission environments.

Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches

NASA Astrophysics Data System (ADS)

Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian; Rauhut, Guntram

2015-12-01

Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.

Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian

Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.

Spectroscopy of Vibrational States in Diatomic Iodine Molecules

NASA Astrophysics Data System (ADS)

Mulholland, Mary; Harrill, Charles H.; Smith, R. Seth

2015-04-01

This project is focused on understanding the vibrational structure of iodine, which is a homonuclear diatomic molecule. A 20 mW, 532 nm cw diode laser was used to selectively excite neutral iodine molecules to a higher energy electronic state. By performing spectroscopy on the transitions from this state to a lower energy electronic state, the data only showed those vibrational bands which connect the two electronic states. Since a number of vibrational levels are populated in the higher energy electronic state, the transitions to all of the allowed vibrational levels in the lower energy electronic state provided sufficient data to determine the vibrational structures of both states. Emission spectra were collected with an Ocean Optics USB4000 Compact CCD Spectrometer. The spectrometer had a range of 500 - 770 nm with a resolution of approximately 0.5 nm and was sensitive enough to resolve the vibrational states in diatomic iodine molecules. The results were compared to a simple harmonic oscillator model.

Liquid rocket disconnects, couplings, fittings, fixed joints, and seals

NASA Technical Reports Server (NTRS)

1976-01-01

State of the art and design criteria for components used in liquid propellant rocket propulsion systems to contain and control the flow of fluids involved are discussed. Particular emphasis is placed on the design of components used in the engine systems of boosters and upper stages, and in spacecraft propulsion systems because of the high pressure and high vibration levels to which these components are exposed. A table for conversion of U.S. customary units to SI units is included with a glossary, and a list of NASA space vehicle design criteria monographs issued to September 1976.

Multidimensional Time-Resolved Spectroscopy of Vibrational Coherence in Biopolyenes

NASA Astrophysics Data System (ADS)

Buckup, Tiago; Motzkus, Marcus

2014-04-01

Multidimensional femtosecond time-resolved vibrational coherence spectroscopy allows one to investigate the evolution of vibrational coherence in electronic excited states. Methods such as pump-degenerate four-wave mixing and pump-impulsive vibrational spectroscopy combine an initial ultrashort laser pulse with a nonlinear probing sequence to reinduce vibrational coherence exclusively in the excited states. By carefully exploiting specific electronic resonances, one can detect vibrational coherence from 0 cm-1 to over 2,000 cm-1 and map its evolution. This review focuses on the observation and mapping of high-frequency vibrational coherence for all-trans biological polyenes such as β-carotene, lycopene, retinal, and retinal Schiff base. We discuss the role of molecular symmetry in vibrational coherence activity in the S1 electronic state and the interplay of coupling between electronic states and vibrational coherence.

Ab initio-informed maximum entropy modeling of rovibrational relaxation and state-specific dissociation with application to the O{sub 2} + O system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kulakhmetov, Marat, E-mail: mkulakhm@purdue.edu; Alexeenko, Alina, E-mail: alexeenk@purdue.edu; Gallis, Michael, E-mail: magalli@sandia.gov

Quasi-classical trajectory (QCT) calculations are used to study state-specific ro-vibrational energy exchange and dissociation in the O{sub 2} + O system. Atom-diatom collisions with energy between 0.1 and 20 eV are calculated with a double many body expansion potential energy surface by Varandas and Pais [Mol. Phys. 65, 843 (1988)]. Inelastic collisions favor mono-quantum vibrational transitions at translational energies above 1.3 eV although multi-quantum transitions are also important. Post-collision vibrational favoring decreases first exponentially and then linearly as Δv increases. Vibrationally elastic collisions (Δv = 0) favor small ΔJ transitions while vibrationally inelastic collisions have equilibrium post-collision rotational distributions. Dissociationmore » exhibits both vibrational and rotational favoring. New vibrational-translational (VT), vibrational-rotational-translational (VRT) energy exchange, and dissociation models are developed based on QCT observations and maximum entropy considerations. Full set of parameters for state-to-state modeling of oxygen is presented. The VT energy exchange model describes 22 000 state-to-state vibrational cross sections using 11 parameters and reproduces vibrational relaxation rates within 30% in the 2500–20 000 K temperature range. The VRT model captures 80 × 10{sup 6} state-to-state ro-vibrational cross sections using 19 parameters and reproduces vibrational relaxation rates within 60% in the 5000–15 000 K temperature range. The developed dissociation model reproduces state-specific and equilibrium dissociation rates within 25% using just 48 parameters. The maximum entropy framework makes it feasible to upscale ab initio simulation to full nonequilibrium flow calculations.« less

Observation of b 2 symmetry vibrational levels of the SO 2C 1B 2 state: Vibrational level staggering, Coriolis interactions, and rotation-vibration constants

DOE PAGES

Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.; ...

2016-04-14

Here, the C 1B 2 state of SO 2 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 (b 2 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 b 2 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 frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less

Observation of b 2 symmetry vibrational levels of the SO 2C 1B 2 state: Vibrational level staggering, Coriolis interactions, and rotation-vibration constants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.

Here, the C 1B 2 state of SO 2 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 (b 2 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 b 2 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 frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less

A voice coil actuator driven active vibration isolation system with the consideration of flexible modes.

PubMed

Park, Kyihwan; Choi, Dongyoub; Ozer, Abdullah; Kim, Sangyoo; Lee, Yongkwan; Joo, Dongik

2008-06-01

We develop a four-mount active vibration isolation system (AVIS) using voice coil actuators. The flexible body modes in the upper plate of the AVIS can cause an instability problem due to control signal whose frequency is close to the resonant frequency of the flexible modes. The loop shaping technique is applied to reduce the amplitude of the control signal. We investigate the performances of the active vibration isolation system proposed in the word in the time domain and frequency domain by comparing to the passive isolation system.

A case report of vibration-induced hand comorbidities in a postwoman

PubMed Central

2011-01-01

Background Prolonged exposure to hand-transmitted vibration is associated with an increased occurrence of symptoms and signs of disorders in the vascular, neurological and osteoarticular systems of the upper limbs. However, the available epidemiological evidence is derived from studies on high vibration levels caused by vibratory tools, whereas little is known about possible upper limb disorders caused by chronic exposure to low vibration levels emitted by fixed sources. Case presentation We present the case of a postwoman who delivered mail for 15 years using a low-powered motorcycle. The woman was in good health until 2002, when she was diagnosed with bilateral Raynaud's phenomenon. In March 2003 a bilateral carpal tunnel syndrome was electromyographically diagnosed; surgical treatment was ineffective. Further examinations in 2005 highlighted the presence of chronic tendonitis (right middle finger flexor). Risk assessment From 1987, for 15 years, our patient rode her motorcycle for 4 h/day, carrying a load of 20-30 kg. For about a quarter of the time she drove over country roads. Using the information collected about the tasks carried out every day by the postwoman and some measurements performed on both handles of the motorcycle, as well as on both iron parts of the handlebars, we reconstructed the woman's previous exposure to hand-arm vibration. 8-hour energy-equivalent frequency weighted acceleration was about 2.4 m/s2. The lifetime dose was 1.5 × 109(m2/s4)hd. Conclusions The particular set of comorbidities presented by our patient suggests a common pathophysiological basis for all the diseases. Considering the level of exposure to vibrations and the lack of specific knowledge on the effects of vibration in women, we hypothesize an association between the work exposure and the onset of the diseases. PMID:21320318

Two improvements on numerical simulation of 2-DOF vortex-induced vibration with low mass ratio

NASA Astrophysics Data System (ADS)

Kang, Zhuang; Ni, Wen-chi; Zhang, Xu; Sun, Li-ping

2017-12-01

Till now, there have been lots of researches on numerical simulation of vortex-induced vibration. Acceptable results have been obtained for fixed cylinders with low Reynolds number. However, for responses of 2-DOF vortex-induced vibration with low mass ratio, the accuracy is not satisfactory, especially for the maximum amplitudes. In Jauvtis and Williamson's work, the maximum amplitude of the cylinder with low mass ratio m*=2.6 can reach as large as 1.5 D to be called as the "super-upper branch", but from current literatures, few simulation results can achieve such value, even fail to capture the upper branch. Besides, it is found that the amplitude decays too fast in the lower branch with the RANS-based turbulence model. The reason is likely to be the defects of the turbulence model itself in the prediction of unsteady separated flows as well as the unreasonable setting of the numerical simulation parameters. Aiming at above issues, a modified turbulence model is proposed in this paper, and the effect of the acceleration of flow field on the response of vortex-induced vibration is studied based on OpenFOAM. By analyzing the responses of amplitude, phase and trajectory, frequency and vortex mode, it is proved that the vortex-induced vibration can be predicted accurately with the modified turbulence model under appropriate flow field acceleration.

The laser-induced fluorescence spectroscopy of TiF in the ultraviolet region

NASA Astrophysics Data System (ADS)

Zhang, Zhaoxia; Guo, Jingru; Yu, Xufeng; Zhen, Junfeng; Chen, Yang

2009-02-01

The laser-induced fluorescence (LIF) spectrum of jet-cooled 48TiF has been obtained in the wavelength region of 245-270 nm for the first time. Six pairs of vibronic bands were observed and assigned to two new transitions [37.8] 4Φ-X 4Φ and 4Δ-X 4Φ. Rotational analysis was carried out for the ( ν' = 0-3 to ν″ = 0) vibrational bands of the [37.8] 4Φ 3/2-X 4Φ 3/2 and [37.8] 4Φ 5/2-X 4Φ 5/2 subbands, and also, the ( ν', 0) and ( ν'+1, 0) vibrational bands of the 4Δ 1/2-X 4Φ 3/2 and 4Δ 3/2-X 4Φ 5/2 subbands. The effective equilibrium molecular constants for the [37.8] 4Φ 3/2 and [37.8] 4Φ 3/2 upper states were determined. In addition, lifetime measurements were carried out for all of the observed bands under collision-free conditions. On the basis of the spectroscopic constants and lifetime measurements, the electronic transitions involved in the observed high-lying electronic states are discussed.

The infrared-ultraviolet dispersed fluorescence spectrum of acetylene: New classes of bright states

NASA Astrophysics Data System (ADS)

Hoshina, Kennosuke; Iwasaki, Atsushi; Yamanouchi, Kaoru; Jacobson, Matthew P.; Field, Robert W.

2001-05-01

Single rotational levels of ungerade vibrational levels, 2ν3'+ν6' and 3ν3'+ν6' (both with bu symmetry), in the à 1Au electronically excited state of acetylene were excited by an IR-UV double resonance scheme via the ν3″ fundamental level in the X˜ 1Σg+ state, and the rotationally resolved dispersed fluorescence (DF) spectra were recorded at 3.2-4.5 cm-1 resolution. The term values of the new ungerade levels were determined within an accuracy of 0.56 cm-1(1σ) through careful calibration achieved by frequency standard atomic Fe and Hg lines. A total of 111 new ungerade vibrational levels with Σu+, Σu-, and Δu symmetry below 10 000 cm-1 was identified in the high-resolution IR-UV-DF spectra, which provide access to new classes of X˜ 1Σg+ bright states: (i) (0,v2″,0,v4″1,1-1)Σu+, (0,v2″,0,v4″1,11)Δu, and (0,v2″,0,v4″3,1-1)Δu, which are the Franck-Condon (FC) bright levels from the nν3'+ν6' (n=2,3) levels in the à 1Au state; (ii) (0,v2″,0,v4″-1,11)Σu- levels which appear through the a-axis Corioris interaction between nν3'+ν6' and nν3'+ν4' (n=2,3) in the à 1Au state; and (iii) (0,v2″,1,v4″0,0)Σu+ and (0,v2″,1,v4″2,0)Δu levels which gain transition intensity from the Duschinsky effect associated with the bent-linear ÖX˜ transition. All observed ungerade term values and previously determined gerade and ungerade term values below 10 000 cm-1 were fitted by two effective model Hamiltonians, i.e., a pure-bend effective Hamiltonian and a stretch-bend effective Hamiltonian. The stretch-bend effective Hamiltonian is expressed in terms of 31 Dunham expansion parameters and 11 anharmonic resonance parameters associated with (i) five stretch-bend anharmonic resonances; (ii) one stretch-stretch and two bend-bend Darling-Dennison resonances; and (iii) one vibrational l resonance. The parameters in this Hamiltonian were determined from a least-squares fit of 287 vibrational term values (111 new ungerade levels, 128 levels from absorption, 1 level from stimulated Raman, 13 levels from stimulated emission pumping (SEP), and 34 levels from UV-DF spectroscopy) below 10 000 cm-1 with a standard deviation of σ=1.21 cm-1. The FC patterns for the v4″=odd ungerade levels, (0,v2″,0,v4″,1), in the IR-UV-DF spectra were derived, and the nodes along the v4″ trans-bend mode were found at v4″=11 via the 2ν3'+ν6' upper state, and at v4″=9 and 15 via the 3ν3'+ν6' upper state, which is consistent with the ν3' dependence of the FC patterns observed in previous UV-DF studies.

Effects of wrist tendon vibration on targeted upper-arm movements in poststroke hemiparesis.

PubMed

Conrad, Megan O; Scheidt, Robert A; Schmit, Brian D

2011-01-01

Impaired motor control of the upper extremity after stroke may be related to lost sensory, motor, and integrative functions of the brain. Artificial activation of sensory afferents might improve control of movement by adding excitatory drive to sensorimotor control structures. The authors evaluated the effect of wrist tendon vibration (TV) on paretic upper-arm stability during point-to-point planar movements. TV (70 Hz) was applied to the forearm wrist musculature of 10 hemiparetic stroke patients as they made center-out planar arm movements. End-point stability, muscle activity, and grip pressure were compared as patients stabilized at the target position for trials completed before, during, and after the application of the vibratory stimulus. Prior to vibration, hand position fluctuated as participants attempted to maintain the hand at the target after movement termination. TV improved arm stability, as evidenced by decreased magnitude of hand tangential velocity at the target. Improved stability was accompanied by a decrease in muscle activity throughout the arm as well as a mean decrease in grip pressure. These results suggest that vibratory stimulation of the distal wrist musculature enhances stability of the proximal arm and can be studied further as a mode for improving end-point stability during reaching in hemiparetic patients.

[Hand-arm vibration syndrome in a nurse carrying out gypsum cutting operations].

PubMed

Speziale, Martina; Picchiotti, E

2009-01-01

A professional nurse, employed mainly on gypsum cutting operations, developed a hand-arm vibration syndrome with Raynaud's phenomenon, neurosensitive disorders and impairment of the bone and joints apparatus of the hand and arm. The nurse underwent diagnostic investigations (cold test, X-ray of the upper limbs, blood tests); also the vibration levels transmitted from instrument were measured and the exposure times were established. Clinical investigations showed the presence of a hand-arm vibration syndrome with secondary Raynaud's phenomenon and environmental surveys revealed very high vibration levels, such as could be associated with the disease with a causal relationship. In the literature no reports exist of the vibration syndrome being associated with health care workers in orthopaedic departments. The case described in this study occurred because of peculiar organisational factors that most likely have never occurred in other hospitals or orthopaedic departments.

Wearable Sensing of Cardiac Timing Intervals from Cardiogenic Limb Vibration Signals

PubMed Central

Wiens, Andrew D.; Johnson, Ann; Inan, Omer T.

2017-01-01

In this paper we describe a new method to measure aortic valve opening (AVO) and closing (AVC) from cardiogenic limb vibrations (i.e., wearable ballistocardiogram [BCG] signals). AVO and AVC were detected for each heartbeat with accelerometers on the upper arm (A), wrist (W), and knee (K) of 22 subjects following isometric exercise. Exercise-induced changes were recorded with impedance cardiography. The method, Filter BCG, detects peaks in distal vibrations after filtering with individually-tuned bandpass filters. In agreement with recent studies, we did not find peaks at AVO and AVC in limb vibrations directly. Interestingly, distal vibrations filtered with FilterBCG yielded reliable peaks at AVO (r2 = 0.95 A, 0.94 W, 0.77 K) and AVC (r2= 0.92 A, 0.89 W, 0.68 K). FilterBCG measures AVO and AVC accurately from arm, wrist, and knee vibrations, and it outperforms the standard R-J interval method. PMID:29123459

The Effect of Solar Radiation on Molecular Nitrogen Emissions Originating in the Sunlit Thermosphere of Earth.

NASA Astrophysics Data System (ADS)

Hatfield, David Brooke

The vibrational distribution of N_2 triplet states in the sunlit upper thermosphere of Earth is measured and modeled for the first time. A comparison is made between measured and theoretical limb column emission rates for bands originating from each upper vibrational level of C^3Pi_ u(v) and A^3Sigma_sp {u}{+}(v). The measured column emission rates for the Second Positive (2PG) bands are 3.2 (+/-0.2), 3.2 (+/-0.2) and 0.6 (+0.0,-0.4) kRayleighs for bands originating from C^3Pi_ u(0<=qrm v<=q2) and 13.3 ( +/-0.2), 10.0 (+/-0.2), 3 (+0,-2) and 2 (+0,-2) kRayleighs for Vegard-Kaplan (VK) bands originating from A^3Sigma_sp{u}{+ }(0<=qrm v<=q3).. Predicted limb column emission rates for C ^3Pi_ u(v) are in excellent agreement with the measured 2PG intensities, but comparisons of predicted A^3Sigma_sp{u }{+}(v) column emissions to measured VK intensities are poor. Despite this discrepancy, the predicted sum of all A^3Sigma_sp {u}{+}(v) emission rates over all v compared well to the sum of measured VK intensities. This implies that the excitation rate into the N_2 triplet states is well understood, but that the cascade mechanisms are not as yet understood sufficiently to use dayglow N_2 band emissions as remote sensing probes of the sunlit thermosphere. The dayglow N_2 emissions are modeled by extending the existing auroral model to include resonance scattering of sunlight and replacing the precipitating auroral electrons with photoelectrons. The effects of solar resonance scattering on the X ^1Sigma_sp{g}{+}, A^3Sigma_sp{u }{+} and B^3Pi _ g states are presented as a function of A^3Sigma_sp{u}{+ } quenching rate. These theoretical predictions have important implications for the analysis of dayglow and auroral emissions. The effect of resonance scattering on the A^3Sigma_sp{u} {+} state is small, and will not be measurable under auroral conditions. This implies that the measured auroral vibrational population of the A^3 Sigma_sp{u}{+} state is valid for sunlit aurora. The population of B ^3Pi_ g(v = O) relative to other B^3Pi_ g(v) states is predicted to be enhanced by sunlight. A novel set of computer variables based on tree structures was created to manage the information used. These variables are described in detail and were found to be useful tools for the creation and extension of computer models treating diatomic species.

Effect of Direct Whole-Body Vibration on Upper-Body Muscular Power in Recreational, Resistance-Trained Men.

PubMed

Jones, Margaret T; Martin, Joel R; Jagim, Andrew R; Oliver, Jonathan M

2017-05-01

Jones, MT, Martin, JR, Jagim, AR, and Oliver, JM. Effect of direct whole-body vibration on upper-body muscular power in recreational, resistance-trained men. J Strength Cond Res 31(5): 1371-1377, 2017-To determine the acute effect of whole-body vibration (WBV) on upper-body power, 15 men (mean ± SD; age 21.5 ± 2.3 years; height 173.1 ± 6.5 cm; and weight 77.2 ± 13.8 kg) with ≥1-year resistance training experience and a bench press (BP): body mass ratio ≥1.25 participated in a repeated-measures crossover design. Session 1 included body composition ([Bod Pod] 15.76 ± 6.7% body fat), 3 repetition maximum BP, and familiarization with: seated medicine ball throw (SMBT), plyometric push-up (PPU) on a force plate, and vertical WBV platform. Sessions 2-5 were randomly ordered across condition and test, separated by 24 hours, and consisted of a warm-up followed by 4 × 30-second push-up holds (2 × elbows at 90° and 2 × arms extended) performed on the vibration platform with WBV (frequency: 30 Hz, amplitude: 2-4 mm, 1:1 work: relief ratio) or no WBV. Seated medicine ball throw and PPU were tested immediately, 1, 5, and 10 minutes post. Standardized magnitude-based inferences were used to define outcomes. A likely positive effect of WBV was observed for SMBT at 10 minutes post. A likely negative effect of WBV resulted at 1 minute in time-to-peak force. A possibly positive effect was observed 10 minutes post. A possibly negative effect was observed 10 minutes post for peak power, and a likely negative effect of WBV was observed on time-to-peak power immediate post. Incorporating a 10-minute rest period is recommended when implementing power exercises after upper-body static-hold exercises during WBV exposure.

Vertical, meridional, seasonal, and local time dependence of non-LTE effects in stratospheric NO and implications for infrared remote sensing

NASA Technical Reports Server (NTRS)

Kaye, Jack A.

1989-01-01

Calculations have been carried out on possible nonlocal thermodynamic equilibrium (non-LTE) effects previously suggested for stratospheric nitric oxide (NO) associated with the direct photochemical production of vibrationally excited NO by the processes NO2 + hv yields NO(v) + O and O + NO2 yields NO(v) + O2. The calculations, which make use of improved calculations of the NO vibrational state distribution from NO2 photolysis, are carried out as a function of altitude and latitude for a variety of seasons and local times. Non-LTE effects on the order of 30 percent for v = 1 are obtained, maximizing in the middle stratosphere over the equator. The results of the calculations suggest that incorporation of the non-LTE effect into the retrieval algorithm for NO from infrared thermal emission measuring instruments on the Upper Atmosphere Research Satellite will need to be done carefully if correct distributions and variations of NO with altitude, latitude, season, and local time are to be obtained.

Effects of Whole Body Vibration Training on Body Composition in Adolescents with Down Syndrome

ERIC Educational Resources Information Center

Gonzalez-Aguero, Alejandro; Matute-Llorente, Angel; Gomez-Cabello, Alba; Casajus, Jose A.; Vicente-Rodriguez, German

2013-01-01

The present study aimed to determine the effect of 20 weeks of whole body vibration (WBV) on the body composition of adolescents with Down syndrome (DS). Thirty adolescent with DS were divided into two groups: control and WBV. Whole body, upper and lower limbs body fat and lean body mass were measured with dual energy X-ray absorptiometry (DXA)…

[Clinical features of the hand-arm vibration syndrome in miners].

PubMed

Kákosy, Tibor; Németh, László; Kiss, Gábor; Lászlóffy, Marianna; Kardos, Kálmán

2006-05-07

It is well known that the vibrating tools used by the miners can cause hand-arm vibration syndrome. However no detailed reports on this field could be found in the Hungarian literature. The aim of this study was to clarify the clinical features of the hand-arm vibration syndrome of the miners. The circulation, the peripheral nerves and the osteoarticular system of the upper extremities of 152 miners were examined by means of cold provocation test, Allen-test, measurement of systolic blood pressure performed by Doppler flowmeter, clinical neurological and neurographic examination and X-ray investigation of the bones and joints. Hand-arm vibration syndrome was diagnosed in 87 patients (57.2%). The most common symptom was the lesion of the circulation which occurred in 78 patients (89.6%). The peripheral nerves were affected in 44 cases (50.5%). Radiological alteration of the bones and joints of the upper extremities was observed in 32 patients (36.8%). Out of 78 damaged cases the frequency of the vascular diseases was as follows: angiopathy (diminished systolic blood pressure in the fingers): 66 patient (84.6%), occlusion of the hand arteries (positive Allen-test) and arterial form of the thoracic outlet syndrome (positive elevation-test) respectively: 28 and 28 cases (35.9%), Raynaud phenomenon (positive cold-provocation test): 26 cases (33.3%). The peripheral nerves were examined in detail in 141 cases. Pathological alterations were observed in 78 patients (55.3%) in the following forms: carpal tunnel syndrome: 66 cases (84.6%), peripheral neuropathy of the upper limbs: 20 patients (25.6%), lesion of the ulnar nerve: 3 cases (3.8%), brachial plexus lesion: one patient (1.3%). Radiological alteration was most common in the carpal region (87 cases, 57.2%). The frequency of the lesion of cubital (40.4%) and shoulder region (40.7%) was practically the same. In the carpal region the most common alterations were the degenerative processes (23 cases, 15.1%) followed by the aseptic osteonecroses (22 patients, 14.5%). In the cubital region the periarticular changes (31 patients, 23.9%) were most common followed by degenerative changes (21 cases, 16.2%) and the osteochondrosis dissecans (13 cases, 10.1%). In the shoulder region the degenerative processes were the most common changes (41 patients, 34.7%), first of all in the acromioclavicular joint (21 cases, 17.8%). Aseptic necrosis was observed in two patients. The miners are professionally exposed not only to hand-arm vibration, but also to increased physical stress. The symptoms on the upper limbs can develop as the result of both exposures.

Does Muscular Force of the Upper Body Increase Following Acute, Direct Vibration?

PubMed

Cochrane, D J

2016-06-01

The aim of the current study was to examine the acute effect of direct vibration has on bicep curl force-generating capacity. 11 healthy team and individual sport-trained males performed right and left DB bicep curl at 50% of 1 RM where peak force (PF), mean force (MF), rate of force development (RFD) and electromyography (EMG) were assessed during the concentric phase before and immediately after direct vibration. Using new vibration technology utilizing a pulsing frequency (0-170 Hz) each arm was randomly assigned to receive either 10 min of direct vibration or control (no vibration). Following direct vibration PF increased 6.6±4.5 N (difference pre-post±90 CL; p>0.05) compared to control FP (-1.2±65 N; p>0.05) however, this was not significant. Furthermore, there were no other significant changes (p>0.05) in MP, RFD and EMG between vibration and control arms. This is in agreement with other research that has reported that acute strength changes from vibration elicits negligible changes, however it appears that there are no detrimental effects of using this new vibration device. © Georg Thieme Verlag KG Stuttgart · New York.

Role of Excited Nitrogen In The Ionosphere

NASA Astrophysics Data System (ADS)

Campbell, L.; Brunger, M. J.; Cartwright, D. C.; Bolorizadeh, M. A.

2006-12-01

Sunlight photoionises atoms and molecules in the Earth's upper atmosphere, producing ions and photoelectrons. The photoelectrons then produce further ionisation by electron impact. These processes produce the ionosphere, which contains various positive ions, such as NO+, N+, and O+, and an equal density of free electrons. O+(4S) ions are long-lived and so the electron density is determined mainly by the density of O+(4S). This density is dependent on ambipolar diffusion and on loss processes, which are principally reactions with O2 and N2. The reaction with N2 is known to be strongly dependent on the vibrational state of N2 but the rate constants are not well determined for the ionosphere. Vibrational excitation of N2 is produced by direct excitation by thermal electrons and photoelectrons and by cascade from the excited states of N2 that are produced by photoelectron impact. It can also be produced by a chemical reaction and by vibrational-translational transitions. The vibrational excitation is lost by deexcitation by electron impact, by step-wise quenching in collisions with O atoms, and in the reaction with O+(4S). The distribution of vibrational levels is rearranged by vibrational-vibrational transitions, and by molecular diffusion vertically in the atmosphere. A computational model that includes these processes and predicts the electron density as a function of height in the ionosphere is described. This model is a combination of a "statistical equilibrium" calculation, which is used to predict the populations of the excited states of N2, and a time-step calculation of the atmospheric reactions and processes. The latter includes a calculation of photoionisation down through the atmosphere as a function of time of day and solar activity, and calculations at 0.1 s intervals of the changing densities of positive ions, electrons and N2 in the different vibrational levels. The validity of the model is tested by comparison of the predicted electron densities with the International Reference Ionosphere (IRI) of electron density measurements. The contribution of various input parameters can be investigated by their effect on the accuracy of the calculated electron densities. Here the effects of two different sets of rate constants for the reaction of vibrationally excited N2 with O+(4S) are investigated. For reference, predictions using the different sets are compared with laboratory measurements. Then the effect of using the different sets in the computational model of the ionosphere is investigated. It is shown that one set gives predictions of electron densities that are in reasonable agreement with the IRI, while the other set does not. Both sets result in underestimation of the electron density at the height of the peak electron density in the atmosphere, suggesting that either the amount of vibrational excitation or the rate constants may be overestimated. Our comparison is made for two cases with different conditions, to give an indication of the limitations of the atmospheric modeling and also insight into ways in which the sets of rate constants may be deficient.

Electron-impact vibrational relaxation in high-temperature nitrogen

NASA Technical Reports Server (NTRS)

Lee, Jong-Hun

1992-01-01

Vibrational relaxation process of N2 molecules by electron-impact is examined for the future planetary entry environments. Multiple-quantum transitions from excited states to higher/lower states are considered for the electronic ground state of the nitrogen molecule N2 (X 1Sigma-g(+)). Vibrational excitation and deexcitation rate coefficients obtained by computational quantum chemistry are incorporated into the 'diffusion model' to evaluate the time variations of vibrational number densities of each energy state and total vibrational energy. Results show a non-Boltzmann distribution of number densities at the earlier stage of relaxation, which in turn suppresses the equilibrium process but affects little the time variation of total vibrational energy. An approximate rate equation and a corresponding relaxation time from the excited states, compatible with the system of flow conservation equations, are derived. The relaxation time from the excited states indicates the weak dependency of the initial vibrational temperature. The empirical curve-fit formula for the improved e-V relaxation time is obtained.

Ares I Integrated Test Approach

NASA Technical Reports Server (NTRS)

Taylor, Jim

2008-01-01

This slide presentation reviews the testing approach that NASA is developing for the Ares I launch vehicle. NASA is planning a complete series of development, qualification and verification tests. These include: (1) Upper stage engine sea-level and altitude testing (2) First stage development and qualification motors (3) Upper stage structural and thermal development and qualification test articles (4) Main Propulsion Test Article (MPTA) (5) Upper stage green run testing (6) Integrated Vehicle Ground Vibration Testing (IVGVT) and (7) Aerodynamic characterization testing.

Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

DTIC Science & Technology

2016-06-03

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited-State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited-state

Prevalence and characteristics of vibrator use by men in the United States.

PubMed

Reece, Michael; Herbenick, Debra; Sanders, Stephanie A; Dodge, Brian; Ghassemi, Annahita; Fortenberry, J Dennis

2009-07-01

While vibrating products have been recommended by clinicians for the treatment of male sexual dysfunctions, knowledge is lacking with regard to the prevalence of vibrator use among men in the United States, the characteristics of men who use vibrators, and whether there are relations between vibrator use and sexual function among men. To establish lifetime and recent prevalence rates for vibrator use by men in the United States, to document the characteristics of men who use vibrators and their reasons for using vibrators, and to explore relations between men's vibrator use and sexual function. During April 2008, data were collected from a population-based cross-sectional survey of 1,047 men aged 18-60 years in the United States. Analyses were conducted using post-stratification data weights. Measures included sociodemographics, health status and health-related behaviors, sexual behaviors, vibrator use, and sexual function. For both solo and partnered sexual activities, the prevalence of men who had incorporated a vibrator into sexual activities during their lives was 44.8%, with 10.0% having done so in the past month, 14.2% in the past year, and 20.5% over 1 year ago. Men who had used vibrators, particularly those with more recent use, were more likely to report participation in sexual health promoting behaviors, such as testicular self-exam. Men who had used vibrators recently also scored higher on four of the five domains of the International Index of Erectile Function (erectile function, intercourse satisfaction, orgasmic function, and sexual desire). Among men in the United States, vibrator use during solo and partnered sexual interactions is common and is associated with a wide array of positive sexual health characteristics. Future research should continue to explore ways in which men incorporate vibrators into solo sexual acts, partnered sexual play, and sexual intercourse.

VizieR Online Data Catalog: ExoMol line lists for CH4 (Yurchenko+, 2014)

NASA Astrophysics Data System (ADS)

Yurchenko, S. N.; Tennyson, J.

2014-02-01

The data are in two parts. The first, ch4_0-39.dat contains a list of 7,819,352 rovibrational states. Each state is labelled with: nine normal mode vibrational quantum numbers and the vibrational symmety; three rotational quantum numbers including the total angular momentum J and rotational symmetry; the total symmetry quantum number Gamma and the running number in the same (J,Gamma,Polyad) combination, where Polyad is a polyad number (see paper). In addition there are nine local mode vibrational numbers and the largest coefficient used to assign the state in question. Each rovibrational state has a unique number, which is the number of the row in which it appears in the file. This number is the means by which the state is related to the second part of the data system, the transitions files. The total degeneracy is also given to facilitate the intensity calculations. Because of their size, the transitions are listed in 120 separate files, each containing all the transitions in a 100cm-1 frequency range. These and their contents are ordered by increasing frequency. The name of the file includes the lowest frequency in the range; thus the a-00500.dat file contains all the transitions in the frequency range 500-600cm-1. The transition files contain three columns: the reference number in the energy file of the upper state; that of the lower state; and the Einstein A coefficient of the transition. The energy file and the transitions files are zipped, and need to be extracted before use. There is a Fortran 90 programme, s_10to10.f90 which may be used to generate synthetic spectra (see s_10to10.txt for details). Using this, it is possible to generate absorption or emission spectra in either 'stick' form or else cross-sections convoluted with a gaussian with the half-width at half maximum being specified by the user, or with a the temperature-dependent doppler half-width. Sample input files s*.inp for use with s10to10.f90 are supplied. (9 data files).

VizieR Online Data Catalog: ExoMol line lists for phosphine (PH3) (Sousa-Silva+,

NASA Astrophysics Data System (ADS)

Sousa-Silva, C.; Al-Refaie, A. F.; Tennyson, J.; Yurchenko, S. N.

2014-11-01

The data are in two parts. The first, ph3_0-46.dat contains a list of 9,787,832 rovibrational states. Each state is labelled with: 6 normal mode vibrational quantum numbers, 1 multiplexed L quantum number and the vibrational symmetry; three rotational quantum numbers including the total angular momentum J, the projection of J in the z-axis K,rotational symmetry and the total symmetry quantum number Gamma In addition there are nine local mode vibrational numbers and the largest coefficient used to assign the state in question. Each rovibrational state has a unique number, which is the number of the row in which it appears in the file. This number is the means by which the state is related to the second part of the data system, the transitions files. The total degeneracy is also given to facilitate the intensity calculations. Because of their size, the transitions are listed in 100 separate files, each containing all the transitions in a 100cm-1 frequency range. These and their contents are ordered by increasing frequency. The name of the file includes the lowest frequency in the range; thus the a-00500.dat file contains all the transitions in the frequency range 500-600cm-1. The transition files contain three columns: the reference number in the energy file of the upper state; that of the lower state; and the Einstein A coefficient of the transition. The energy file and the transitions files are zipped, and need to be extracted before use. There is a Fortran 90 programme, s_SAlTY.f90 which may be used to generate synthetic spectra (see s_SAlTY.txt for details). Using this, it is possible to generate absorption or emission spectra in either 'stick' form or else cross-sections convoluted with a gaussian with the half-width at half maximum being specified by the user, or with a the temperature-dependent doppler half-width. Sample input files s*.inp for use with sSAlTY.f90 are supplied. (10 data files).

VizieR Online Data Catalog: ExoMol line lists for formaldehyde H2CO (Al-Refaie+,

NASA Astrophysics Data System (ADS)

Al-Refaie, A. F.; Yachmenev, A.; Tennyson, J.; Yurchenko, S. N.

2015-01-01

The data are in two parts. The first, h2co_0-70.dat contains a list of 10,296,998 rovibrational states. Each state is labelled with: 6 normal mode vibrational quantum numbers, and the vibrational symmetry; three rotational quantum numbers including the total angular momentum J, the projection of J in the z-axis K,rotational symmetry and the total symmetry quantum number Gamma In addition there are six local mode vibrational numbers and the largest coeffecient used to assign the state in question. Each rovibrational state has a unique number, which is the number of the row in which it appears in the file. This number is the means by which the state is related to the second part of the data system, the transitions files. The total degeneracy is also given to facilitate the intensity calculations. Because of their size, the transitions are listed in 100 separate files, each containing all the transitions in a 100cm-1 frequency range. These and their contents are ordered by increasing frequency. The name of the file includes the lowest frequency in the range; thus the a-00500.dat file contains all the transitions in the frequency range 500-600cm-1. The transition files contain three columns: the reference number in the energy file of the upper state; that of the lower state; and the Einstein A coefficient of the transition. The energy file and the transitions files are zipped, and need to be extracted before use. There is a Fortran 90 programme, s_AYTY.f90 which may be used to generate synthetic spectra (see s_AYTY.txt for details). Using this, it is possible to generate absorption or emission spectra in either 'stick' form or else cross-sections convoluted with a gaussian with the half-width at half maximum being specified by the user, or with a the temperature-dependent doppler half-width. Sample input files s*.inp for use with sSAlTY.f90 are supplied. (9 data files).

VizieR Online Data Catalog: ExoMol line lists for H216O2 (Al-Refaie+, 2016)

NASA Astrophysics Data System (ADS)

Al-Refaie, A. F.; Polyansky, O. L.; Tennyson, J.; Yurchenko, S. N.

2016-06-01

The data are in two parts. The first, h2o20-85.dat contains a list of 7,560,352 rovibrational states. Each state is labelled with: six normal mode vibrational quantum numbers the torsional symmetry number (tau) and the vibrational symmetry; three rotational quantum numbers including the total angular momentum J and rotational symmetry; the total symmetry quantum number Gamma and the running number in the same J,Gamma block. In addition there are six local mode vibrational numbers and the largest coefficient used to assign the state in question. Each rovibrational state has a unique number, which is the number of the row in which it appears in the file. This number is the means by which the state is related to the second part of the data system, the transitions files. The total degeneracy is also given to facilitate the intensity calculations. Because of their size, the transitions are listed in 60 separate files, each containing all the transitions in a 100cm-1 frequency range. These and their contents are ordered by increasing frequency. The name of the file includes the lowest frequency in the range; thus the a-0500.dat file contains all the transitions in the frequency range 500-600cm-1. The transition files contain three columns: the reference number in the energy file of the upper state; that of the lower state; and the Einstein A coefficient of the transition. The energy file and the transitions files are zipped, and need to be extracted before use. There is a Fortran 90 programme, s_APTY.f90 which may be used to generate synthetic spectra (see s_APTY.txt for details). Using this, it is possible to generate absorption or emission spectra in either 'stick' form or else cross-sections convoluted with a gaussian with the half-width at half maximum being specified by the user, or with a the temperature-dependent doppler half-width. Sample input files s*.inp for use with sAPTY.f90 are supplied. (10 data files).

Studies of the chemistry of vibrationally and electronically excited species in planetary upper atmospheres

NASA Technical Reports Server (NTRS)

Fox, J. L.

1984-01-01

The vibrational distribution of O2(+) in the atmospheres of Venus and Mars was investigated to compare with analogous values in the Earth's atmosphere. The dipole moment of the Z(2) Pi sub u - X(2) Pi sub g transition of O2(+) is calculated as a function of internuclear distance. The band absorption oscillator strengths and band transition probabilities of the second negative system are derived. The vibrational distribution of O2(+) in the ionosphere of Venus is calculated for a model based on data from the Pioneer Venus neutral mass spectrometer.

Franck-Condon fingerprinting of vibration-tunneling spectra.

PubMed

Berrios, Eduardo; Sundaradevan, Praveen; Gruebele, Martin

2013-08-15

We introduce Franck-Condon fingerprinting as a method for assigning complex vibration-tunneling spectra. The B̃ state of thiophosgene (SCCl2) serves as our prototype. Despite several attempts, assignment of its excitation spectrum has proved difficult because of near-degenerate vibrational frequencies, Fermi resonance between the C-Cl stretching mode and the Cl-C-Cl bending mode, and large tunneling splittings due to the out-of-plane umbrella mode. Hence, the spectrum has never been fitted to an effective Hamiltonian. Our assignment approach replaces precise frequency information with intensity information, eliminating the need for double resonance spectroscopy or combination differences, neither of which have yielded a full assignment thus far. The dispersed fluorescence spectrum of each unknown vibration-tunneling state images its character onto known vibrational progressions in the ground state. By using this Franck-Condon fingerprint, we were able to determine the predominant character of several vibration-tunneling states and assign them; in other cases, the fingerprinting revealed that the states are strongly mixed and cannot be characterized with a simple normal mode assignment. The assigned transitions from vibration-tunneling wave functions that were not too strongly mixed could be fitted within measurement uncertainty by an effective vibration-tunneling Hamiltonian. A fit of all observed vibration-tunneling states will require a full resonance-tunneling Hamiltonian.

Vibrational frequencies and dephasing times in excited electronic states by femtosecond time-resolved four-wave mixing

NASA Astrophysics Data System (ADS)

Joo, Taiha; Albrecht, A. C.

1993-06-01

Time-resolved degenerate four-wave mixing (TRDFWM) for an electronically resonant system in a phase-matching configuration that measures population decay is reported. Because the spectral width of input light exceeds the vibrational Bohr frequency of a strong Raman active mode, the vibrational coherence produces strong oscillations in the TRDFWM signal together with the usual population decay from the excited electronic state. The data are analyzed in terms of a four-level system: ground and excited electronic states each split by a vibrational quantum of a Raman active mode. Absolute frequencies and their dephasing times of the vibrational modes at ≈590 cm -1 are obtained for the excited as well as the ground electronic state. The vibrational dephasing rate in the excited electronic state is about an order of magnitude faster than that in the ground state, the origin of which is speculated upon.

Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of bromobenzene and its perdeuterated isotopologue: Assignment of the vibrations of the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states of bromobenzene and the S{sub 0} and D{sub 0}{sup +} states of iodobenzene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andrejeva, Anna; Tuttle, William D.; Harris, Joe P.

2015-12-28

We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, themore » vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.« less

Computational Study of Nonequilibrium Chemistry in High Temperature Flows

NASA Astrophysics Data System (ADS)

Doraiswamy, Sriram

Recent experimental measurements in the reflected shock tunnel CUBRC LENS-I facility raise questions about our ability to correctly model the recombination processes in high enthalpy flows. In the carbon dioxide flow, the computed shock standoff distance over the Mars Science Laboratory (MSL) shape was less than half of the experimental result. For the oxygen flows, both pressure and heat transfer data on the double cone geometry were not correctly predicted. The objective of this work is to investigate possible reasons for these discrepancies. This process involves systematically addressing different factors that could possibly explain the differences. These factors include vibrational modeling, role of electronic states and chemistry-vibrational coupling in high enthalpy flows. A state-specific vibrational model for CO2, CO, O2 and O system is devised by taking into account the first few vibrational states of each species. All vibrational states with energies at or below 1 eV are included in the present work. Of the three modes of vibration in CO2 , the antisymmetric mode is considered separately from the symmetric stretching mode and the doubly degenerate bending modes. The symmetric and the bending modes are grouped together since the energy transfer rates between the two modes are very large due to Fermi resonance. The symmetric and bending modes are assumed to be in equilibrium with the translational and rotational modes. The kinetic rates for the vibrational-translation energy exchange reactions, and the intermolecular and intramolecular vibrational-vibrational energy exchange reactions are based on experimental data to the maximum extent possible. Extrapolation methods are employed when necessary. This vibrational model is then coupled with an axisymmetric computational fluid dynamics code to study the expansion of CO2 in a nozzle. The potential role of low lying electronic states is also investigated. Carbon dioxide has a single excited state just below the dissociation limit. CO and O recombine exclusively to this excited state and then relaxes to the ground electronic state. A simple model is proposed to represent the effect of this intermediate state in the recombination process. Preliminary results show that this excited electronic state is a potential reason for increased shock standoff distance observed in LENS facility. The general role of chemistry-vibrational coupling in modeling recombination dominated flows is also investigated. A state-specific model is developed to analyze the complex chemistry-vibration coupling present in high enthalpy nozzle flows. A basic model is formulated assuming molecules are formed at a specific vibrational level and then allowed to relax through a series of vibration-vibration and vibration-translation processes. This is carried out assuming that the molecules behave as either harmonic or anharmonic oscillators. The results are compared with the standard vibration-chemistry model for high enthalpy nozzle flows. Next, a prior recombination model that accounts for the rotational-vibrational coupling is used to obtain prior recombination distribution. A distribution of recombining states is obtained as a function of the total energy available to the system. The results of this model are compared with recent experiments. Additionally, a reduced model is formulated using the concepts of the state-specific model. The results of this reduced model is compared with the state specific model.

[Occupational exposure to hand-transmitted vibration in Poland].

PubMed

Harazin, Barbara; Zieliński, Grzegorz

2004-01-01

Occupational exposure to hand transmitted vibration may cause disorders in upper extremities known as hand-arm vibration syndrome. Therefore it is essential to know the sources of vibration, occupational groups exposed to vibration and the number of exposed workers. The aim of the study was to estimate the number of men and women exposed to hand-transmitted vibration in Poland. The completed questionnaires were obtained from 265 (80%) sanitary inspection stations. They included questions on: the name of workplaces, the name and the type of vibration sources, workers' gender, the number of workers exposed to vibration, indicating the extent of exposure measured against the three threshold limit values (< 0.5 TLV; 0.5 < TLV < 1 and > 1 TLV), and the number of workers exposed to hand-transmitted vibration not documented by measurements in a particular workplaces, indicating one of the three possible kinds of exposure (occasional, periodical and constant). The questionnaire data were based on measurements and analyses performed in 1997-2000. The results of the study showed that vibrating tools used by grinders, fitters, locksmiths, rammers, road workers, carpenters and smiths proved to be the most frequent sources of hand-transmitted vibration. It was revealed that 78.6% of operators of these tools were exposed to vibration exceeding 1 TLV. The study also indicated that 17,000 workers, including 1700 women, were exposed to vibration exceeding the threshold limit values.

Ozone kinetics in low-pressure discharges: vibrationally excited ozone and molecule formation on surfaces

NASA Astrophysics Data System (ADS)

Marinov, Daniil; Guerra, Vasco; Guaitella, Olivier; Booth, Jean-Paul; Rousseau, Antoine

2013-10-01

A combined experimental and modeling investigation of the ozone kinetics in the afterglow of pulsed direct current discharges in oxygen is carried out. The discharge is generated in a cylindrical silica tube of radius 1 cm, with short pulse durations between 0.5 and 2 ms, pressures in the range 1-5 Torr and discharge currents ˜40-120 mA. Time-resolved absolute concentrations of ground-state atoms and ozone molecules were measured simultaneously in situ, by two-photon absorption laser-induced fluorescence and ultraviolet absorption, respectively. The experiments were complemented by a self-consistent model developed to interpret the results and, in particular, to evaluate the roles of vibrationally excited ozone and of ozone formation on surfaces. It is found that vibrationally excited ozone, O_3^{*} , plays an important role in the ozone kinetics, leading to a decrease in the ozone concentration and an increase in its formation time. In turn, the kinetics of O_3^{*} is strongly coupled with those of atomic oxygen and O2(a 1Δg) metastables. Ozone formation at the wall does not contribute significantly to the total ozone production under the present conditions. Upper limits for the effective heterogeneous recombination probability of O atoms into ozone are established.

GNSS Signal Tracking Performance Improvement for Highly Dynamic Receivers by Gyroscopic Mounting Crystal Oscillator.

PubMed

Abedi, Maryam; Jin, Tian; Sun, Kewen

2015-08-31

In this paper, the efficiency of the gyroscopic mounting method is studied for a highly dynamic GNSS receiver's reference oscillator for reducing signal loss. Analyses are performed separately in two phases, atmospheric and upper atmospheric flights. Results show that the proposed mounting reduces signal loss, especially in parts of the trajectory where its probability is the highest. This reduction effect appears especially for crystal oscillators with a low elevation angle g-sensitivity vector. The gyroscopic mounting influences frequency deviation or jitter caused by dynamic loads on replica carrier and affects the frequency locked loop (FLL) as the dominant tracking loop in highly dynamic GNSS receivers. In terms of steady-state load, the proposed mounting mostly reduces the frequency deviation below the one-sigma threshold of FLL (1σ(FLL)). The mounting method can also reduce the frequency jitter caused by sinusoidal vibrations and reduces the probability of signal loss in parts of the trajectory where the other error sources accompany this vibration load. In the case of random vibration, which is the main disturbance source of FLL, gyroscopic mounting is even able to suppress the disturbances greater than the three-sigma threshold of FLL (3σ(FLL)). In this way, signal tracking performance can be improved by the gyroscopic mounting method for highly dynamic GNSS receivers.

Boundary-integral modeling of cochlear hydrodynamics

NASA Astrophysics Data System (ADS)

Pozrikidis, C.

2008-04-01

A two-dimensional model that captures the essential features of the vibration of the basilar membrane of the cochlea is proposed. The flow due to the vibration of the stapes footplate and round window is modeled by a point source and a point sink, and the cochlear pressure is computed simultaneously with the oscillations of the basilar membrane. The mathematical formulation relies on the boundary-integral representation of the potential flow established far from the basilar membrane and cochlea side walls, neglecting the thin Stokes boundary layer lining these surfaces. The boundary-integral approach furnishes integral equations for the membrane vibration amplitude and pressure distribution on the upper or lower side of the membrane. Several approaches are discussed, and numerical solutions in the frequency domain are presented for a rectangular cochlea model using different membrane response functions. The numerical results reproduce and extend the theoretical predictions of previous authors and delineate the effect of physical and geometrical parameters. It is found that the membrane vibration depends weakly on the position of the membrane between the upper and lower wall of the cochlear channel and on the precise location of the oval and round windows. Solutions of the initial-value problem with a single-period sinusoidal impulse reveal the formation of a traveling wave packet that eventually disappears at the helicotrema.

Simulation of vibrational dephasing of I(2) in solid Kr using the semiclassical Liouville method.

PubMed

Riga, Jeanne M; Fredj, Erick; Martens, Craig C

2006-02-14

In this paper, we present simulations of the decay of quantum coherence between vibrational states of I(2) in its ground (X) electronic state embedded in a cryogenic Kr matrix. We employ a numerical method based on the semiclassical limit of the quantum Liouville equation, which allows the simulation of the evolution and decay of quantum vibrational coherence using classical trajectories and ensemble averaging. The vibrational level-dependent interaction of the I(2)(X) oscillator with the rare-gas environment is modeled using a recently developed method for constructing state-dependent many-body potentials for quantum vibrations in a many-body classical environment [J. M. Riga, E. Fredj, and C. C. Martens, J. Chem. Phys. 122, 174107 (2005)]. The vibrational dephasing rates gamma(0n) for coherences prepared between the ground vibrational state mid R:0 and excited vibrational state mid R:n are calculated as a function of n and lattice temperature T. Excellent agreement with recent experiments performed by Karavitis et al. [Phys. Chem. Chem. Phys. 7, 791 (2005)] is obtained.

Overtone, 2OH spectroscopy of H2Osbnd Kr

NASA Astrophysics Data System (ADS)

Vanfleteren, Thomas; Földes, Tomas; Rizopoulos, Athéna; Herman, Michel

2017-12-01

We have used continuous-wave cavity ring-down spectroscopy to record the spectrum of H2Osbnd Kr in the 2OH excitation range of H2O. 11 sub-bands have been observed for the main krypton isotope, 84 Kr. Their rotational structure (Trot = 18 K) is analyzed and the lines fitted together with literature microwave data, with a unitless standard deviation σ = 0.86 and 1.32 for ortho and para species, respectively. 4 more sub-bands are observed for the three other isotopes and are also analyzed. The upper state vibrational predissociation lifetime is estimated to 4 ns from observed spectral linewidths.

Effects of Vibrations on Metal Forming Process: Analytical Approach and Finite Element Simulations

NASA Astrophysics Data System (ADS)

Armaghan, Khan; Christophe, Giraud-Audine; Gabriel, Abba; Régis, Bigot

2011-01-01

Vibration assisted forming is one of the most recent and beneficial technique used to improve forming process. Effects of vibration on metal forming processes can be attributed to two causes. First, the volume effect links lowering of yield stress with the influence of vibration on the dislocation movement. Second, the surface effect explains lowering of the effective coefficient of friction by periodic reduction contact area. This work is related to vibration assisted forming process in viscoplastic domain. Impact of change in vibration waveform has been analyzed. For this purpose, two analytical models have been developed for two different types of vibration waveforms (sinusoidal and triangular). These models were developed on the basis of Slice method that is used to find out the required forming force for the process. Final relationships show that application of triangular waveform in forming process is more beneficial as compare to sinusoidal vibrations in terms of reduced forming force. Finite Element Method (FEM) based simulations were performed using Forge2008®and these confirmed the results of analytical models. The ratio of vibration speed to upper die speed is a critical factor in the reduction of the forming force.

State-to-state models of vibrational relaxation in Direct Simulation Monte Carlo (DSMC)

NASA Astrophysics Data System (ADS)

Oblapenko, G. P.; Kashkovsky, A. V.; Bondar, Ye A.

2017-02-01

In the present work, the application of state-to-state models of vibrational energy exchanges to the Direct Simulation Monte Carlo (DSMC) is considered. A state-to-state model for VT transitions of vibrational energy in nitrogen and oxygen, based on the application of the inverse Laplace transform to results of quasiclassical trajectory calculations (QCT) of vibrational energy transitions, along with the Forced Harmonic Oscillator (FHO) state-to-state model is implemented in DSMC code and applied to flows around blunt bodies. Comparisons are made with the widely used Larsen-Borgnakke model and the in uence of multi-quantum VT transitions is assessed.

Rate coefficients of exchange reactions accounting for vibrational excitation of reagents and products

NASA Astrophysics Data System (ADS)

Kustova, E. V.; Savelev, A. S.; Kunova, O. V.

2018-05-01

Theoretical models for the vibrational state-resolved Zeldovich reaction are assessed by comparison with the results of quasi-classical trajectory (QCT) calculations. An error in the model of Aliat is corrected; the model is generalized taking into account NO vibrational states. The proposed model is fairly simple and can be easily implemented to the software for non-equilibrium flow modeling. It provides a good agreement with the QCT rate coefficients in the whole range of temperatures and reagent/product vibrational states. The developed models are tested in simulations of vibrational and chemical relaxation of air mixture behind a shock wave. The importance of accounting for excitated NO vibrational states and accurate prediction of Zeldovich reactions rates is shown.

Luminorefrigeration: vibrational cooling of NaCs.

PubMed

Wakim, A; Zabawa, P; Haruza, M; Bigelow, N P

2012-07-02

We demonstrate the use of optical pumping of kinetically ultracold NaCs to cool an initial vibrational distribution of electronic ground state molecules X(1)Σ(+)(v ≥ 4) into the vibrational ground state X(1)Σ(+)(v=0). Our approach is based on the use of simple, commercially available multimode diode lasers selected to optically pump population into X(1)Σ(+)(v=0). We investigate the impact of the cooling process on the rotational state distribution of the vibrational ground state, and observe that an initial distribution, J(initial)=0-2 is only moderately affected resulting in J(final)=0-4. This method provides an inexpensive approach to creation of vibrational ground state ultracold polar molecules.

High-Resolution Microwave and Infrared Molecular-Beam Studies of the Conformers of 1,1,2,2-Tetrafluoroethane

NASA Astrophysics Data System (ADS)

Stone, Stephen C.; Philips, Laura A.; Fraser, G. T.; Lovas, F. J.; Xu, Li-Hong; Sharpe, S. W.

1998-11-01

High-resolution microwave and infrared molecular-beam spectra have been measured for 1,1,2,2-tetrafluoroethane (HFC134). For the higher energy, polar,C2symmetry,gaucheconformer, microwave spectra have been recorded for the normal and mono-13C isotopomers and analyzed to determine a C-C bond length of 1.512(4) Å, in good agreement with a recentab initiovalue (MP2/6-31G**) of 1.515 Å [S. Papasavva, K. H. Illinger, and J. E. Kenny,J. Phys. Chem.100, 10100-10110 (1996)]. A tunable microwave-sideband CO2laser and electric-resonance optothermal spectrometer have been used to measure the infrared spectrum of the ν6, C-C stretch of thegaucheconformer near 906 cm-1. Microwave-infrared double resonance and precise ground state combination differences provided by the microwave measurements guide the assignment of the spectrum. The observation of ac-type spectrum definitively establishes that the upper state vibration is ofAsymmetry in theC2point group. The spectrum is fit to a Watson asymmetric-top Hamiltonian to a standard deviation of 0.24 MHz. A weak perturbation shifts the line positions for transitions nearJ = Kc= 20 by as much as 12 MHz. The identity of the perturber is unknown. Pulsed slit-jet diode-laser spectra have been recorded for the ν16vibration of theanticonformer near 1127 cm-1. Ana- andc-type hybrid band is observed, consistent with aBusymmetry mode. Previous low-resolution studies have attributed the 1127-cm-1mode to either aBuor anAusymmetry vibration. A total of 522 nonblended transitions were assigned and fit to determine ground and excited state constants. The ground state constants ofA= 5134.952(65) MHz,B= 3148.277(27) MHz, andC= 2067.106(43) MHz are the first experimental determinations of the rotational constants for this conformer. Here, typeAstandard uncertainties are given in the parentheses.

Numerical investigations of two-degree-of-freedom vortex-induced vibration in shear flow

NASA Astrophysics Data System (ADS)

Zhang, Hui; Liu, Mengke; Han, Yang; Li, Jian; Gui, Mingyue; Chen, Zhihua

2017-06-01

Exponential-polar coordinates attached to a moving cylinder are used to deduce the stream function-vorticity equations for two-degree-of-freedom vortex-induced vibration, the initial and boundary conditions, and the distribution of the hydrodynamic force, which consists of the vortex-induced force, inertial force, and viscous damping force. The fluid-structure interactions occurring from the motionless cylinder to the steady vibration are investigated numerically, and the variations of the flow field, pressure, lift/drag, and cylinder displacement are discussed. Both the dominant vortex and the cylinder shift, whose effects are opposite, affect the shear layer along the transverse direction and the secondary vortex along the streamwise direction. However, the effect of the cylinder shift is larger than that of the dominant vortices. Therefore, the former dominates the total effects of the flow field. Moreover, the symmetry of the flow field is broken with the increasing shear rate. With the effect of the background vortex, the upper vortices are strengthened, and the lower vortices are weakened; thus, the shear layer and the secondary vortices induced by the upper shedding vortices are strengthened, while the shear layer and the secondary vortices induced by the lower shedding vortices are weakened. Therefore, the amplitudes of the displacement and drag/lift dominated by the upper vortex are larger than those of the displacement and drag/lift dominated by the lower vortex.

Direct Electron Impact Excitation of Rydberg-Valence States of Molecular Nitrogen

NASA Astrophysics Data System (ADS)

Malone, C. P.; Johnson, P. V.; Liu, X.; Ajdari, B.; Muleady, S.; Kanik, I.; Khakoo, M. A.

2012-12-01

Collisions between electrons and neutral N2 molecules result in emissions that provide an important diagnostic probe for understanding the ionospheric energy balance and the effects of space weather in upper atmospheres. Also, transitions to singlet ungerade states cause N2 to be a strong absorber of solar radiation in the EUV spectral range where many ro-vibrational levels of these Rydberg-valence (RV) states are predissociative. Thus, their respective excitation and emission cross sections are important parameters for understanding the [N]/[N2] ratio in the thermosphere of nitrogen dominated atmospheres. The following work provides improved constraints on absolute and relative excitation cross sections of numerous RV states of N2, enabling more physically accurate atmospheric modeling. Here, we present recent integral cross sections (ICSs) for electron impact excitation of RV states of N2 [6], which were based on the differential cross sections (DCSs) derived from electron energy-loss (EEL) spectra of [5]. This work resulted in electronic excitation cross sections over the following measured vibrational levels: b 1Πu (v‧=0-14), c3 1Πu (v‧=0-3), o3 1Πu (v‧=0-3), b‧ 1Σu+ (v‧=0-10), c‧4 1Σu+ (v‧=0-3), G 3Πu (v‧=0-3), and F 3Πu (v‧=0-3). We further adjusted the cross sections of the RV states by extending the vibronic contributions to unmeasured v‧-levels via the relative excitation probabilities (REPs) as discussed in [6]. This resulted in REP-scaled ICSs over the following vibrational levels for the singlet ungerade states: b(0-19), c3(0-4), o3(0-4), b‧(0-16), and c‧4(0-8). Comparison of the ICSs of [6] with available EEL based measurements, theoretical calculations, and emission based work generally shows good agreement within error estimations, except with the recent reevaluation provided by [1]. Further, we have extended these results, using the recent EEL data of [3], to include the unfolding of better resolved features above ~13.82eV. This effort is to provide improved cross sections for these RV states, in particular for the b‧ 1Σu+ and c‧4 1Σu+ states, with inclusion of more upper vibrational levels. Future optical emission work should include re-measurements of excitation shape functions of the singlet ungerade states utilizing better spectral resolution than past determinations (e.g., [2,4]) to avoid uncertainties associated with unresolved and/or blended spectral features as well as J-dependent predissociation. Further development of theoretical treatments of N2 excitation is also in need. We will also present analysis of our new low-energy, near-threshold excitation cross sections for the valence states of N2, including a 1Πg (v‧) levels. Acknowledgement: This work was performed at CSUF and JPL, Caltech, under contract with NASA. We gratefully acknowledge financial support through NASA's OPR and PATM programs and NSF-PHY-RUI-0096808 & -0965793 and NSF-AGS-0938223. References: [1] Ajello, J. M., M. H. Stevens, I. Stewart, et al. (2007), GRL, 34, L24204 [2] Ajello, J. M., G. K. James, and B. O. Franklin (1989), PRA, 40, 3524-56 [3] Heays, A. N., B. R. Lewis, S. T. Gibson, et al. (2012), PRA, 85, 012705 [4] James, G. K., J. M. Ajello, B. Franklin, and D. E. Shemansky (1990), JPB, 23, 2055-81 [5] Khakoo, M. A., C. P. Malone, P. V. Johnson, et al. (2008), PRA, 77, 012704 [6] Malone, C. P., P. V. Johnson, X. Liu, et al. (2012), PRA, 85, 062704

The influence of vibrational state-resolved transport coefficients on the wave propagation in diatomic gases

NASA Astrophysics Data System (ADS)

Kremer, Gilberto M.; Kunova, Olga V.; Kustova, Elena V.; Oblapenko, George P.

2018-01-01

A detailed kinetic-theory model for the vibrationally state-resolved transport coefficients is developed taking into account the dependence of the collision cross section on the size of vibrationally excited molecule. Algorithms for the calculation of shear and bulk viscosity, thermal conductivity, thermal diffusion and diffusion coefficients for vibrational states are proposed. The transport coefficients are evaluated for single-component diatomic gases N2, O2, NO, H2, Cl2 in the wide range of temperature, and the effects of molecular diameters and the number of accounted states are discussed. The developed model is applied to study wave propagation in diatomic gases. For the case of initial Boltzmann distribution, the influence of vibrational excitation on the phase velocity and attenuation coefficient is found to be weak. We expect more significant effect in the case of initial thermal non-equilibrium, for instance in gases with optically pumped selected vibrational states.

Vibration-rotation-tunneling dynamics in small water clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pugliano, Nick

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 -1 intermolecular vibration of the water dimer-d 4. Each of the VRT subbands originate from K a''=0 and terminate in either K a'=0 or 1. These data provide a complete characterization of the tunneling dynamics in themore » vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A' 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 a' 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' symmetry, and the vibration is assigned as the v 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 2O-DOH isotopomer.« less

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

NASA Astrophysics Data System (ADS)

Peters, William K.; Tiwari, Vivek; Jonas, David M.

2017-11-01

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

PubMed

Peters, William K; Tiwari, Vivek; Jonas, David M

2017-11-21

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State.

PubMed

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-12-23

Energy flow and sequestration at the state-to-state level are investigated for a prototypical four-atom reaction, H2 + OH → H + H2O, using a transition-state wave packet (TSWP) method. The product state distribution is found to depend strongly on the reactant vibrational excitation, indicating mode specificity at the state-to-state level. From a local-mode perspective, it is shown that the vibrational excitation of the H2O product derives from two different sources, one attributable to the energy flow along the reaction coordinate into the newly formed OH bond and the other due to the sequestration of the vibrational energy in the OH spectator moiety during the reaction. The analysis provided a unified interpretation of some seemingly contradicting experimental observations. It is further shown that the transfer of vibrational energy from the OH reactant to H2O product is gated by the transition state, accomplished coherently by multiple TSWPs with the corresponding OH vibrational excitation.

SEARCH FOR TWO-PHONON OCTUPOLE VIBRATIONAL BANDS IN 88, 89, 92, 93, 94, 96Sr AND 95, 96, 97, 98Zr

NASA Astrophysics Data System (ADS)

Hwang, J. K.; Hamilton, J. H.; Ramayya, A. V.; Brewer, N. T.; Wang, E. H.; Luo, Y. X.; Zhu, S. J.

2012-09-01

Several new gamma transitions were identified in 94Sr, 93Sr, 92Sr, 96Zr and 97Zr from the spontaneous fission of 252Cf. Excited states in 88, 89, 92, 94, 96Sr and 95, 96, 97, 98Zr were reanalyzed and reorganized to propose the new two-phonon octupole vibrational states and bands. The spin and parity of 6+ are assigned to a 4034.5 keV state in 94Sr and 3576.4 keV state in 98Zr. These states are proposed as the two-phonon octupole vibrational states along with the 6+ states at 3483.4 keV in 96Zr, at 3786.0 keV in 92Sr and 3604.2 keV in 96Sr. The positive parity bands in 88, 94, 96Sr and 96, 98Zr are the first two-phonon octupole vibrational bands based on a 6+ state assigned in spherical nuclei. It is thought that in 94, 96Sr and 96, 98Zr a 3- octupole vibrational phonon is weakly coupled to an one-phonon octupole vibrational band to make the two-phonon octupole vibrational band. Also, the high spin states of odd-A95Zr and 97Zr are interpreted to be generated by the neutron 2d5/2 hole and neutron 1g7/2 particle, respectively, weakly coupled to one- and two-phonon octupole vibrational bands of 96Zr. The high spin states of odd-A87Sr are interpreted to be caused by the neutron 1g9/2 hole weakly coupled to 3- and 5- states of 88Sr. New one- and two-POV bands in 95, 97Zr and 87, 89Sr are proposed, for the first time, in the present work.

Infrared radiation and inversion population of CO2 laser levels in Venusian and Martian atmospheres

NASA Technical Reports Server (NTRS)

Gordiyets, B. F.; Panchenko, V. Y.

1983-01-01

Formation mechanisms of nonequilibrium 10 micron CO2 molecule radiation and the possible existence of a natural laser effect in the upper atmospheres of Venus and Mars are theoretically studied. An analysis is made of the excitation process of CO2 molecule vibrational-band levels (with natural isotropic content) induced by direct solar radiation in bands 10.6, 9.4, 4.3, 2.7 and 2.0 microns. The model of partial vibrational-band temperatures was used in the case. The problem of IR radiation transfer in vibrational-rotational bands was solved in the radiation escape approximation.

Skyrme RPA description of γ-vibrational states in rare-earth nuclei

NASA Astrophysics Data System (ADS)

Nesterenko, V. O.; Kartavenko, V. G.; Kleinig, W.; Kvasil, J.; Repko, A.; Jolos, R. V.; Reinhard, P.-G.

2016-01-01

The lowest γ-vibrational states with Kπ = 2+γ in well-deformed Dy, Er and Yb isotopes are investigated within the self-consistent separable quasiparticle random-phase-approximation (QRPA) approach based on the Skyrme functional. The energies Eγ and reduced transition probabilities B(E2)γ of the states are calculated with the Skyrme force SV-mas10. We demonstrate the strong effect of the pairing blocking on the energies of γ-vibrational states. It is also shown that collectivity of γ-vibrational states is strictly determined by keeping the Nilsson selection rules in the corresponding lowest 2qp configurations.

a Hamiltonian to Obtain a Global Frequency Analysis of all the Vibrational Bands of Ethane

NASA Astrophysics Data System (ADS)

Moazzen-Ahmadi, Nasser; Norooz Oliaee, Jalal

2016-06-01

The interest in laboratory spectroscopy of ethane stems from the desire to understand the methane cycle in the atmospheres of planets and their moons and from the importance of ethane as a trace species in the terrestrial atmosphere. Solar decomposition of methane in the upper part of these atmospheres followed by a series of reactions leads to a variety of hydrocarbon compounds among which ethane is often the second most abundant species. Because of its high abundance, ethane spectra have been measured by Voyager and Cassini in the regions around 30, 12, 7, and 3 μm. Therefore, a complete knowledge of line parameters of ethane is crucial for spectroscopic remote sensing of planetary atmospheres. Experimental characterization of torsion-vibration states of ethane lying below 1400 cm-1 have been made previously, but extension of the Hamiltonian model for treatment of the strongly perturbed νb{8} fundamental and the complex band system of ethane in the 3 micron region requires careful examination of the operators for many new torsionally mediated vibration-rotation interactions. Following the procedures outlined by Hougen, we have re-examined the transformation properties of the total angular momentum, the translational and vibrational coordinates and momenta of ethane, and for vibration-torsion-rotation interaction terms constructed by taking products of these basic operators. It is found that for certain choices of phase, the doubly degenerate vibrational coordinates with and symmetry can be made to transform under the group elements in such a way as to yield real matrix elements for the torsion-vibration-rotation couplings whereas other choices of phase may require complex algebra. In this talk, I will discuss the construction of a very general torsion-vibration-rotation Hamiltonian for ethane, as well as the prospect for using such a Hamiltonian to obtain a global frequency analysis (based in large part on an extension of earlier programs and ethane fits^a from our laboratory) of all the vibrational bands of ethane at or below the 3-micron region. N. Moazzen-Ahmadi and J. Norooz Oliaee, J. Quant. Spectrosc. Radiat. Transfer, submitted. J.T. Hougen, Can. J. Phys., 42, 1920 (1964) J. T. Hougen, Can. J. Phys., 43, 935 (1965)

Mechanisms of Coupled Vibrational Relaxation and Dissociation in Carbon Dioxide.

PubMed

Armenise, Iole; Kustova, Elena

2018-05-21

A complete vibrational state-specific kinetic scheme describing dissociating carbon dioxide mixtures is proposed. CO 2 symmetric, bending and asymmetric vibrations and dissociation-recombination are strongly coupled through inter-mode vibrational energy transfers. Comparative study of state-resolved rate coefficients is carried out; the effect of different transitions may vary considerably with temperature. A non-equilibrium 1-D boundary layer flow typical to hypersonic planetary entry is studied in the state-to-state approach. To assess the sensitivity of fluid-dynamic variables and heat transfer to various vibrational transitions and chemical reactions, corresponding processes are successively included to the kinetic scheme. It is shown that vibrational-translational (VT) transitions in the symmetric and asymmetric modes do not alter the flow and can be neglected whereas the VT 2 exchange in the bending mode is the main channel of vibrational relaxation. Inter-mode vibrational exchanges affect the flow implicitly, through energy redistribution enhancing VT relaxation; the dominating role belongs to near-resonant transitions between symmetric and bending modes as well as between CO molecules and CO 2 asymmetric mode. Strong coupling between VT 2 relaxation and chemical reactions is emphasized. While vibrational distributions and average vibrational energy show strong dependence on the kinetic scheme, the heat flux is more sensitive to chemical reactions.

Role of electronic excited N2 in vibrational excitation of the N2 ground state at high latitudes

NASA Astrophysics Data System (ADS)

Campbell, L.; Cartwright, D. C.; Brunger, M. J.; Teubner, P. J. O.

2006-09-01

Vibrationally excited N2 is important in determining the ionospheric electron density and has also been proposed to play a role in the production of NO in disturbed atmospheres. We report here predictions of the absolute vibrational distributions in the ground electronic state of N2 produced by electron impact excitation, at noon and midnight under quiet geomagnetic conditions and disturbed conditions corresponding to the aurora IBCII+ and IBCIII+ at 60°N latitude and 0° longitude, at altitudes between 130 and 350 km. These predictions were obtained from a model which includes thermal excitation and direct electron impact excitation of the vibrational levels of the N2 ground state and its excited electronic states; radiative cascade from all excited electronic states to all vibrational levels of the ground electronic state; quenching by O, O2, and N2; molecular and ambipolar diffusion; and the dominant chemical reactions. Results from this study show that for both aurora and daytime electron environments: (1) cascade from the higher electronic states of N2 determines the population of the higher vibrational levels in the N2 ground state and (2) the effective ground state vibrational temperature for levels greater than 4 in N2 is predicted to be in the range 4000-13000 K for altitudes greater than 200 km. Correspondingly, the associated enhancement factor for the O+ reaction with vibrationally excited N2 to produce NO+ is predicted to increase with increasing altitude (up to a maximum at a height which increases with auroral strength) for both aurora and daytime environments and to increase with increasing auroral strength. The contribution of the cascade from the excited electronic states was evaluated and found to be relatively minor compared to the direct excitation process.

Radiative properties of molecular nitrogen ions produced by helium Penning ionization and argon effects

NASA Technical Reports Server (NTRS)

Miller, George, III; Song, Kyo-Dong

1994-01-01

The development of hypersonic aerospace vehicles requires a better understanding on the thermal and chemical nonequilibrium kinetics of participating species in shock layers. The computational fluid dynamic (CFD) codes developed for such flowfields overestimate the radiation in the spectral region of 300 - 600 nm. A speculation for this overestimation is that inclusion of Ar, CO2, and H2O at the upper atmosphere flight region makes a significant impact on radiative kinetics of molecular nitrogen ions. To define the effects of minority species on the radiative kinetics of N2(+), an experimental setup was made by using the helium Penning ionization. The vibrational and rotational temperature were measured by mapping the vibrational and rotational distributions of N2(+) emission with high spectroscopic resolution and absolute intensity measurements. Measured vibrational temperatures were in the range from 18,000 to 36,000 K, and rotational temperatures were in the range from 300 to 370 K. The irradiance of 391.44 nm line and rotational and vibrational temperatures were analyzed to define argon and CO2 effects on the N2(+) emission. When Ar or CO2 is injected with N2, the rotational temperature did not change. The irradiances were reduced by 34 percent and 78 percent for the 50 percent of mixture of Ar and CO2, respectively. The vibrational temperatures were increased by 24.1 percent and 82.9 percent for the 50 percent of mixture of Ar and CO2, respectively. It appears that there are no significant effects from small concentrations of Ar and CO2 at the upper atmosphere flight region.

Laser induced fluorescence and phosphorescence of matrix isolated glyoxal - Evidence for exciplex formation in the A 1Au and a 3Au states

NASA Technical Reports Server (NTRS)

Van Ijzendoorn, L. J.; Baas, F.; Koernig, S.; Greenberg, J. M.; Allamandola, L. J.

1986-01-01

Laser-induced fluorescence and phosphorescence as well as infrared and visible absorption spectra of glyoxal in Ar, N2, and CO matrices are presented and analyzed. Glyoxal in its first excited electronic state is shown to form an exciplex with its nearest neighbors in all three matrices, and transitions normally forbidden dominate the emission spectra. The spectral characteristics of these complexes are similar to those of the Ar-glyoxal complex found in supersonic beam experiments. Due to the matrix cage effect, no vibrational predissociation is observed. The phosphorescence lifetime is determined and an upper limit is given for the fluorescence lifetime. This, in combination with the relative intensities of fluorescence and phosphorescence, can be used to place limits on the quantum yields of the various relaxation processes.

The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

NASA Astrophysics Data System (ADS)

Song, Yin; Hellmann, Christoph; Stingelin, Natalie; Scholes, Gregory D.

2015-06-01

Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets ( S ( λ 1 , T ˜ 2 , λ 3 ) ) along the population time ( T ˜ 2 ) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps ( S ( λ 1 , ν ˜ 2 , λ 3 ) ). We found that the vibrational coherence from pure excited electronic states appears at positive frequency ( + ν ˜ 2 ) in the rephasing beating map and at negative frequency ( - ν ˜ 2 ) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer.

PubMed

Tiwari, Vivek; Jonas, David M

2018-02-28

Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a purely electronic excitonic coupling model. Energy transfer can leave excess energy behind as vibration on the electronic ground state of the donor, allowing vibrational relaxation on the donor's ground electronic state to make energy transfer permanent by removing excess energy from the excited electronic state of the dimer.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer

NASA Astrophysics Data System (ADS)

Tiwari, Vivek; Jonas, David M.

2018-02-01

Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a purely electronic excitonic coupling model. Energy transfer can leave excess energy behind as vibration on the electronic ground state of the donor, allowing vibrational relaxation on the donor's ground electronic state to make energy transfer permanent by removing excess energy from the excited electronic state of the dimer.

Integrated System Test Approaches for the NASA Ares I Crew Launch Vehicle

NASA Technical Reports Server (NTRS)

Cockrell, Charles

2008-01-01

NASA is maturing test and evaluation plans leading to flight readiness of the Ares I crew launch vehicle. Key development, qualification, and verification tests are planned . Upper stage engine sea-level and altitude testing. First stage development and qualification motors. Upper stage structural and thermal development and qualification test articles. Main Propulsion Test Article (MPTA). Upper stage green run testing. Integrated Vehicle Ground Vibration Testing (IVGVT). Aerodynamic characterization testing. Test and evaluation supports initial validation flights (Ares I-Y and Orion 1) and design certification.

a Method for Preview Vibration Control of Systems Having Forcing Inputs and Rapidly-Switched Dampers

NASA Astrophysics Data System (ADS)

ElBeheiry, E. M.

1998-07-01

In a variety of applications, especially in large scale dynamic systems, the mechanization of different vibration control elements in different locations would be decided by limitations placed on the modal vibration of the system and the inherent dynamic coupling between its modes. Also, the quality of vibration control to the economy of producing the whole system would be another trade-off leading to a mix of passive, active and semi-active vibration control elements in one system. This termactiveis limited to externally powered vibration control inputs and the termsemi-activeis limited to rapidly switched dampers. In this article, an optimal preview control method is developed for application to dynamic systems having active and semi-active vibration control elements mechanized at different locations in one system. The system is then a piecewise (bilinear) controller in which two independent sets of control inputs appear additively and multiplicatively. Calculus of variations along with the Hamiltonian approach are employed for the derivation of this method. In essence, it requires the active elements to be ideal force generators and the switched dampers to have the property of on-line variation of the damping characteristics to pre-determined limits. As the dampers switch during operation the whole system's structure differs, and then values of the active forcing inputs are adapted to match these rapid changes. Strictly speaking, each rapidly switched damper has pre-known upper and lower damping levels and it can take on any in-between value. This in-between value is to be determined by the method as long as the damper tracks a pre-known fully active control demand. In every damping state of each semi-active damper the method provides the optimal matching values of the active forcing inputs. The method is shown to have the feature of solving simple standard matrix equations to obtain closed form solutions. A comprehensive 9-DOF tractor semi-trailer model is used to demonstrate the effectiveness of the method. Time domain predictions are made to compare performance of ride and tyre-to-road contact in the model for the presented method with those of some other active and semi-active suspension designs.

Real-time visualization of the vibrational wavepacket dynamics in electronically excited pyrimidine via femtosecond time-resolved photoelectron imaging

NASA Astrophysics Data System (ADS)

Li, Shuai; Long, Jinyou; Ling, Fengzi; Wang, Yanmei; Song, Xinli; Zhang, Song; Zhang, Bing

2017-07-01

The vibrational wavepacket dynamics at the very early stages of the S1-T1 intersystem crossing in photoexcited pyrimidine is visualized in real time by femtosecond time-resolved photoelectron imaging and time-resolved mass spectroscopy. A coherent superposition of the vibrational states is prepared by the femtosecond pump pulse at 315.3 nm, resulting in a vibrational wavepacket. The composition of the prepared wavepacket is directly identified by a sustained quantum beat superimposed on the parent-ion transient, possessing a frequency in accord with the energy separation between the 6a1 and 6b2 states. The dephasing time of the vibrational wavepacket is determined to be 82 ps. More importantly, the variable Franck-Condon factors between the wavepacket components and the dispersed cation vibrational levels are experimentally illustrated to identify the dark state and follow the energy-flow dynamics on the femtosecond time scale. The time-dependent intensities of the photoelectron peaks originated from the 6a1 vibrational state exhibit a clear quantum beating pattern with similar periodicity but a phase shift of π rad with respect to those from the 6b2 state, offering an unambiguous picture of the restricted intramolecular vibrational energy redistribution dynamics in the 6a1/6b2 Fermi resonance.

High-Resolution Study of the Perturbation in the CO Triplet Band

NASA Astrophysics Data System (ADS)

Momona, M.; Kanamori, H.; Sakurai, K.

1993-05-01

Seven hundred absorption lines have been observed in the discharge plasma of He and CO in the 12600-12 800 cm-1 region with Doppler-limited resolution by a near-infrared diode laser spectrometer. Out of complex spectral patterns, more than 400 lines were assigned to the CO triplet band, d3Δ(v‧ = 2) - a3Π (v″ = 1). The upper state of this transition is known to be severely perturbed. The measurement of all the spin subbands of the 3Δ - 3Π transition allowed us to reanalyze the perturbation of the d3Δ (v = 2) state with the highly vibrationally excited state, v = 9, in the a3Π state. Diode laser spectroscopy with high sensitivity and Doppler-limited resolution revealed the overtone band transition from v = 1 to v = 9 within the a3Π state and the Λ-type doubling in the d3Δ state. Those interesting phenomena can be understood as a result of the perturbation and were successfully reproduced by the eigenvectors determined in this analysis.

Vibration testing and analysis using holography

NASA Technical Reports Server (NTRS)

1971-01-01

Time average holography is useful in recording steady state vibrational mode patterns. Phase relationships under steady state conditions are measured with real time holography and special phase shifting techniques. Data from Michelson interferometer verify vibration amplitudes from holographic data.

Superconductivity in Bismuth. A New Look at an Old Problem.

PubMed

Mata-Pinzón, Zaahel; Valladares, Ariel A; Valladares, Renela M; Valladares, Alexander

2016-01-01

To investigate the relationship between atomic topology, vibrational and electronic properties and superconductivity of bismuth, a 216-atom amorphous structure (a-Bi216) was computer-generated using our undermelt-quench approach. Its pair distribution function compares well with experiment. The calculated electronic and vibrational densities of states (eDOS and vDOS, respectively) show that the amorphous eDOS is about 4 times the crystalline at the Fermi energy, whereas for the vDOS the energy range of the amorphous is roughly the same as the crystalline but the shapes are quite different. A simple BCS estimate of the possible crystalline superconducting transition temperature gives an upper limit of 1.3 mK. The e-ph coupling is more preponderant in a-Bi than in crystalline bismuth (x-Bi) as indicated by the λ obtained via McMillan's formula, λc = 0.24 and experiment λa = 2.46. Therefore with respect to x-Bi, superconductivity in a-Bi is enhanced by the higher values of λ and of eDOS at the Fermi energy.

Superconductivity in Bismuth. A New Look at an Old Problem

PubMed Central

2016-01-01

To investigate the relationship between atomic topology, vibrational and electronic properties and superconductivity of bismuth, a 216-atom amorphous structure (a-Bi216) was computer-generated using our undermelt-quench approach. Its pair distribution function compares well with experiment. The calculated electronic and vibrational densities of states (eDOS and vDOS, respectively) show that the amorphous eDOS is about 4 times the crystalline at the Fermi energy, whereas for the vDOS the energy range of the amorphous is roughly the same as the crystalline but the shapes are quite different. A simple BCS estimate of the possible crystalline superconducting transition temperature gives an upper limit of 1.3 mK. The e-ph coupling is more preponderant in a-Bi than in crystalline bismuth (x-Bi) as indicated by the λ obtained via McMillan’s formula, λc = 0.24 and experiment λa = 2.46. Therefore with respect to x-Bi, superconductivity in a-Bi is enhanced by the higher values of λ and of eDOS at the Fermi energy. PMID:26815431

Spectral measurement of nonequilibrium arc-jet free-stream flow

NASA Technical Reports Server (NTRS)

Gopaul, Nigel K. J. M.

1993-01-01

Spectra of radiation emitted by the free-stream flow of air in an arcjet wind tunnel at NASA-Ames Research Center were studied experimentally. The arcjet produces a high energy gaseous flow that is expanded to low density and low temperature to produce high velocities in the free-stream for simulating atmospheric entry conditions. The gamma and the delta band systems of nitric oxide emitted by the free stream were measured in the second order. The NO-beta band system, which is in the same spectral region as the NO-gamma and NO-delta band systems, was not present in the data. Only transitions from the lowest vibrational level of the upper state of both the NO-gamma and NO-delta band systems were observed. The rotational temperature determined from these band systems was 660 +/- 50 deg K. The maximum possible vibrational temperature was determined to be less than 850 +/- 50 deg K. The electronic temperature determined from the ratio of the intensities of the NO-gamma and NO-delta band systems was 7560 +/- 340 K. The results indicate that the arcjet free-stream flow is in thermal nonequilibrium.

Vibration-translation energy transfer in vibrationally excited diatomic molecules. Ph.D. Thesis - York Univ., Toronto

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1976-01-01

A semiclassical collision model is applied to the study of energy transfer rates between a vibrationally excited diatomic molecule and a structureless atom. The molecule is modeled as an anharmonic oscillator with a multitude of dynamically coupled vibrational states. Three main aspects in the prediction of vibrational energy transfer rates are considered. The applicability of the semiclassical model to an anharmonic oscillator is first evaluated for collinear encounters. Second, the collinear semiclassical model is applied to obtain numerical predictions of the vibrational energy transfer rate dependence on the initial vibrational state quantum number. Thermally averaged vibration-translation rate coefficients are predicted and compared with CO-He experimental values for both ground and excited initial states. The numerical model is also used as a basis for evaluating several less complete but analytic models. Third, the role of rational motion in the dynamics of vibrational energy transfer is examined. A three-dimensional semiclassical collision model is constructed with coupled rotational motion included. Energy transfer within the molecule is shown to be dominated by vibration-rotation transitions with small changes in angular momentum. The rates of vibrational energy transfer in molecules with rational frequencies that are very small in comparison to their vibrational frequency are shown to be adequately treated by the preceding collinear models.

Vibration-rotation-tunneling dynamics in small water clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pugliano, N.

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 inmore » 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.« less

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

NASA Astrophysics Data System (ADS)

Tiwari, Vivek; Peters, William K.; Jonas, David M.

2017-10-01

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer.

PubMed

Tiwari, Vivek; Peters, William K; Jonas, David M

2017-10-21

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

Vibrational cooling of spin-stretched dimer states by He buffer gas: quantum calculations for Li2(a 3Sigma(u)+) at ultralow energies.

PubMed

Bovino, S; Bodo, E; Yurtsever, E; Gianturco, F A

2008-06-14

The interaction between the triplet state of the lithium dimer, (7)Li(2), with (4)He is obtained from accurate ab initio calculations where the vibrational dependence of the potential is newly computed. Vibrational quenching dynamics within a coupled-channel quantum treatment is carried out at ultralow energies, and large differences in efficiency as a function of the initial vibrational state of the targets are found as one compares the triplet results with those of the singlet state of the same target.

Relationship between self-reported upper limb disability and quantitative tests in hand-arm vibration syndrome.

PubMed

Poole, Kerry; Mason, Howard

2007-03-15

To establish the relationship between quantitative tests of hand function and upper limb disability, as measured by the Disability of the Arm, Shoulder and Hand (DASH) questionnaire, in hand-arm vibration syndrome (HAVS). A total of 228 individuals with HAVS were included in this study. Each had undergone a full HAVS assessment by an experienced physician, including quantitative tests of vibrotactile and thermal perception thresholds, maximal hand-grip strength (HG) and the Purdue pegboard (PP) test. Individuals were also asked to complete a DASH questionnaire. PP and HG of the quantitative tests gave the best and statistically significant individual correlations with the DASH disability score (r2 = 0.168 and 0.096). Stepwise linear regression analysis revealed that only PP and HG measurements were statistically significant predictors of upper limb disability (r2 = 0.178). Overall a combination of the PP and HG measurements, rather than each alone, gave slightly better discrimination, although not statistically significant, between normal and abnormal DASH scores with a sensitivity of 73.1% and specificity of 64.3%. Measurements of manual dexterity and hand-grip strength using PP and HG may be useful in helping to confirm lack of upper limb function and 'perceived' disability in HAVS.

GNSS Signal Tracking Performance Improvement for Highly Dynamic Receivers by Gyroscopic Mounting Crystal Oscillator

PubMed Central

Abedi, Maryam; Jin, Tian; Sun, Kewen

2015-01-01

In this paper, the efficiency of the gyroscopic mounting method is studied for a highly dynamic GNSS receiver’s reference oscillator for reducing signal loss. Analyses are performed separately in two phases, atmospheric and upper atmospheric flights. Results show that the proposed mounting reduces signal loss, especially in parts of the trajectory where its probability is the highest. This reduction effect appears especially for crystal oscillators with a low elevation angle g-sensitivity vector. The gyroscopic mounting influences frequency deviation or jitter caused by dynamic loads on replica carrier and affects the frequency locked loop (FLL) as the dominant tracking loop in highly dynamic GNSS receivers. In terms of steady-state load, the proposed mounting mostly reduces the frequency deviation below the one-sigma threshold of FLL (1σFLL). The mounting method can also reduce the frequency jitter caused by sinusoidal vibrations and reduces the probability of signal loss in parts of the trajectory where the other error sources accompany this vibration load. In the case of random vibration, which is the main disturbance source of FLL, gyroscopic mounting is even able to suppress the disturbances greater than the three-sigma threshold of FLL (3σFLL). In this way, signal tracking performance can be improved by the gyroscopic mounting method for highly dynamic GNSS receivers. PMID:26404286

Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

NASA Astrophysics Data System (ADS)

Schubert, Alexander; Falvo, Cyril; Meier, Christoph

2016-08-01

We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the "surfaces" for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking the molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.

Train-induced field vibration measurements of ground and over-track buildings.

PubMed

Zou, Chao; Wang, Yimin; Moore, James A; Sanayei, Masoud

2017-01-01

Transit-oriented development, such as metro depot and over-track building complexes, has expanded rapidly over the last 5years in China. Over-track building construction has the advantage of comprehensive utilization of land resources, ease of commuting to work, and provide funds for subway construction. But the high frequency of subway operations into and out of the depots can generate excessive vibrations that transmit into the over track buildings, radiate noise within the buildings, hamper the operation of vibration sensitive equipment, and adversely affect the living quality of the building occupants. Field measurements of vibration during subway operations were conducted at Shenzhen, China, a city of 10.62 million people in southern China. Considering the metro depot train testing line and throat area train lines were the main vibration sources, vibration data were captured in five measurement setups. The train-induced vibrations were obtained and compared with limitation of FTA criteria. The structure-radiated noise was calculated using measured vibration levels. The vertical vibration energy directly passed through the columns on both sides of track into the platform, amplifying vibration on the platform by up to 6dB greater than ground levels at testing line area. Vibration amplification around the natural frequency in the vertical direction of over-track building made the peak values of indoor floor vibration about 16dB greater than outdoor platform vibration. We recommend to carefully examining design of new over-track buildings within 40m on the platform over the throat area to avoid excessive vertical vibrations and noise. For both buildings, the measured vertical vibrations were less than the FTA limit. However, it is demonstrated that the traffic-induced high-frequency noise has the potential to annoy occupants on the upper floors. Copyright © 2016 Elsevier B.V. All rights reserved.

Measurement of Vibrations in Two Tower-Typed Assistant Personal Robot Implementations with and without a Passive Suspension System

PubMed Central

Moreno, Javier; Clotet, Eduard; Tresanchez, Marcel; Martínez, Dani; Casanovas, Jordi; Palacín, Jordi

2017-01-01

This paper presents the vibration pattern measurement of two tower-typed holonomic mobile robot prototypes: one based on a rigid mechanical structure, and the other including a passive suspension system. Specific to the tower-typed mobile robots is that the vibrations that originate in the lower part of the structure are transmitted and amplified to the higher areas of the tower, causing an unpleasant visual effect and mechanical stress. This paper assesses the use of a suspension system aimed at minimizing the generation and propagation of vibrations in the upper part of the tower-typed holonomic robots. The two robots analyzed were equipped with onboard accelerometers to register the acceleration over the X, Y, and Z axes in different locations and at different velocities. In all the experiments, the amplitude of the vibrations showed a typical Gaussian pattern which has been modeled with the value of the standard deviation. The results have shown that the measured vibrations in the head of the mobile robots, including a passive suspension system, were reduced by a factor of 16. PMID:28505108

Vibrational Schroedinger Cats

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.

Laboratory kinetic studies of OH and CO2 relevant to upper atmospheric radiation balance

NASA Technical Reports Server (NTRS)

Nelson, David D.; Zahniser, Mark S.; Kolb, Charles E.

1994-01-01

During the first year of this program, we have made considerable progress toward the measurement of the dipole moments of vibrationally excited OH radicals. Our primary accomplishments have been 1) the modification of the original slit jet spectrometer for the study of radical species and 2) the observation of infrared chemiluminescence from the vibrationally excited OH radicals formed in the H + ozone reaction in the supersonic jet. We are optimistic that we will soon observe OH* laser induced fluorescence in the jet. Modulation of this fluorescence with microwave radiation in an applied electric field will be the final step required for the precise determination of the vibrational dependence of the OH dipole moment.

An approach to optimal semi-active control of vibration energy harvesting based on MEMS

NASA Astrophysics Data System (ADS)

Rojas, Rafael A.; Carcaterra, Antonio

2018-07-01

In this paper the energy harvesting problem involving typical MEMS technology is reduced to an optimal control problem, where the objective function is the absorption of the maximum amount of energy in a given time interval from a vibrating environment. The interest here is to identify a physical upper bound for this energy storage. The mathematical tool is a new optimal control called Krotov's method, that has not yet been applied to engineering problems, except in quantum dynamics. This approach leads to identify new maximum bounds to the energy harvesting performance. Novel MEMS-based device control configurations for vibration energy harvesting are proposed with particular emphasis to piezoelectric, electromagnetic and capacitive circuits.

State-to-state modeling of non-equilibrium air nozzle flows

NASA Astrophysics Data System (ADS)

Nagnibeda, E.; Papina, K.; Kunova, O.

2018-05-01

One-dimensional non-equilibrium air flows in nozzles are studied on the basis of the state-to-state description of vibrational-chemical kinetics. Five-component mixture N2/O2/NO/N/O is considered taking into account Zeldovich exchange reactions of NO formation, dissociation, recombination and vibrational energy transitions. The equations for vibrational and chem-ical kinetics in a flow are coupled to the conservation equations of momentum and total energy and solved numerically for different conditions in a nozzle throat. The vibrational distributions of nitrogen and oxygen molecules, number densities of species as well as the gas temperature and flow velocity along a nozzle axis are analysed using the detailed state-to-state flow description and in the frame of the simplified one-temperature thermal equilibrium kinetic model. The comparison of the results showed the influence of non-equilibrium kinetics on macroscopic nozzle flow parameters. In the state-to-state approach, non-Boltzmann vibrational dis-tributions of N2 and O2 molecules with a plateau part at intermediate levels are found. The results are found with the use of the complete and simplified schemes of reactions and the impact of exchange reactions, dissociation and recombination on variation of vibrational level populations, mixture composition, gas velocity and temperature along a nozzle axis is shown.

An International Survey of Shock and Vibration Technology

DTIC Science & Technology

1979-03-01

Rept. No. APL- UW -7615, RPR-24.4, (Aug. 1976). PB-269 585/6GA. 4-21 29. Angiola, A.J. and Chen, T.C., "An Applied Statistical Approach to Highway Noise...pp 27-42, (June 1975). 61. Wilkinson, T.L., ’Vibrational Loading of Mechanically Fastened Wood Joints’, Forest Products Lab., Madison , WI, Rept. No...Joints using a lumped param- eter model of the upper torso and head. The main objective was to predict lumbar intervertebral joint deformations. Smith

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Huilin; Yang, Jiayue; Zhang, Dong

The effect of antisymmetric C–H stretching excitation of CH{sub 4} on the dynamics and reactivity of the O({sup 1}D) + CH{sub 4} → OH + CD{sub 3} reaction at the collision energy of 6.10 kcal/mol has been investigated using the crossed-beam and time-sliced velocity map imaging techniques. The antisymmetric C–H stretching mode excited CH{sub 4} molecule was prepared by direct infrared excitation. From the measured images of the CH{sub 3} products with the infrared laser on and off, the product translational energy and angular distributions were derived for both the ground and vibrationally excited reactions. Experimental results show that themore » vibrational energy of the antisymmetric stretching excited CH{sub 4} reagent is channeled exclusively into the vibrational energy of the OH co-products and, hence, the OH products from the excited-state reaction are about one vibrational quantum hotter than those from the ground-state reaction, and the product angular distributions are barely affected by the vibrational excitation of the CH{sub 4} reagent. The reactivity was found to be suppressed by the antisymmetric stretching excitation of CH{sub 4} for all observed CH{sub 3} vibrational states. The degree of suppression is different for different CH{sub 3} vibrational states: the suppression is about 40%–60% for the ground state and the umbrella mode excited CH{sub 3} products, while for the CH{sub 3} products with one quantum symmetric stretching mode excitation, the suppression is much less pronounced. In consequence, the vibrational state distribution of the CH{sub 3} product from the excited-state reaction is considerably different from that of the ground-state reaction.« less

Non-Born-Oppenheimer calculations of the pure vibrational spectrum of HeH+.

PubMed

Pavanello, Michele; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik

2005-09-08

Very accurate calculations of the pure vibrational spectrum of the HeH(+) ion are reported. The method used does not assume the Born-Oppenheimer approximation, and the motion of both the electrons and the nuclei are treated on equal footing. In such an approach the vibrational motion cannot be decoupled from the motion of electrons, and thus the pure vibrational states are calculated as the states of the system with zero total angular momentum. The wave functions of the states are expanded in terms of explicitly correlated Gaussian basis functions multipled by even powers of the internuclear distance. The calculations yielded twelve bound states and corresponding eleven transition energies. Those are compared with the pure vibrational transition energies extracted from the experimental rovibrational spectrum.

[Biomechanical study of lumbar spine under different vibration conditions].

PubMed

Xiang, Pin; Du, Chengfei; Mo, Zhongjun; Gong, He; Wang, Lizhen; Fan, Yubo

2015-02-01

We observed the effect of vibration parameters on lumbar spine under different vibration conditions using finite element analysis method in our laboratory. In this study, the CT-images of L1-L5 segments were obtained. All images were used to develop 3D geometrical model using the Mimics10. 01 (Materialise, Belgium). Then it was modified using Geomagic Studio12. 0 (Raindrop Geomagic Inc. USA). Finite element (FE) mesh model was generated by Hypermesh11. 0 (Altair Engineering, Inc. USA) and Abaqus. Abaqus was used to calculate the stress distribution of L1-L5 under different vibration conditions. It was found that in a vibration cycle, tensile stress was occurred on lumbar vertebra mainly. Stress distributed evenly and stress concentration occurred on the left rear side of the upper endplate. The stress had no obvious changes under different frequencies, but the stress was higher when amplitude was greater. In conclusion, frequency and amplitude parameters have little effect on the stress distribution in vertebra. The stress magnitude is positively correlated with the amplitude.

Acute effects of vibration from a chipping hammer and a grinder on the hand-arm system.

PubMed Central

Kihlberg, S; Attebrant, M; Gemne, G; Kjellberg, A

1995-01-01

OBJECTIVES--The purpose of this study was to compare various effects on the hand-arm system of vibration exposure from a chipping hammer and a grinder with the same frequency weighted acceleration. Grip and push forces were measured and monitored during the exposure. The various effects were: muscle activity (measured with surface electrodes), discomfort ratings for different parts of the hand-arm system (made during and after exposure), and vibration perception threshold (for 10 minutes before and 10 minutes after the exposure). RESULTS--No increase in muscle activity due to exposure to vibration was found in the hand muscle studied. In the forearm, conversely, there was an increase in both muscle studied. For the upper arm the muscle activity only increased when exposed to impact vibration. Subjective ratings in the hand and shift in vibration perception threshold were effected more by the grinder than the hammer exposure. CONCLUSION--These results show that the reaction of the hand-arm system to vibration varies with frequency quantitatively as well as qualitatively. They do not support the notion that one single frequency weighted curve would be valid for the different health effects of hand-arm vibration (vascular, musculoskeletal, neurological, and psychophysiological). PMID:8535492

Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedorov, Dmitry A.; Varganov, Sergey A., E-mail: svarganov@unr.edu; 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 obtainingmore » 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.« less

Oxygen isotope fractionation in the vacuum ultraviolet photodissociation of carbon monoxide: Wavelength, pressure and temperature dependency.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, Subrata; Davis, Ryan; Ahmed, Musahid

Several absorption bands exist in the VUV region of Carbon monoxide (CO). Emission spectra indicate that these bands are all predissociative. An experimental investigation of CO photodissociation by vacuum ultraviolet photons (90 to 108 nm; ~13 to 11 eV) from the Advanced Light Source Synchrotron and direct measurement of the associated oxygen isotopic composition of the products are presented here. A wavelength dependency of the oxygen isotopic composition in the photodissociation product was observed. Slope values (δ'{sup 18}O/ δ'{sup 17}O) ranging from 0.76 to 1.32 were observed in oxygen three-isotope space (δ'{sup 18}O vs. δ'{sup 17}O) which correlated with increasingmore » synchrotron photon energy, and indicate a dependency of the upper electronic state specific dissociation dynamics (e.g., perturbation and coupling associated with a particular state). An unprecedented magnitude in isotope separation was observed for photodissociation at the 105 and 107 nm synchrotron bands and are found to be associated with accidental predissociation of the vibrational states ({nu} = 0 and 1) of the upper electronic state E{sup 1}Π. For each synchrotron band, a large (few hundred per mil) extent of isotopic fractionation was observed and the range of fractionation is a combination of column density and exposure time. A significant temperature dependency in oxygen isotopic fractionation was observed, indicating a rotational level dependency in the predissociation process.« less

Origin of Vibrational Instabilities in Molecular Wires with Separated Electronic States.

PubMed

Foti, Giuseppe; Vázquez, Héctor

2018-06-07

Current-induced heating in molecular junctions stems from the interaction between tunneling electrons and localized molecular vibrations. If the electronic excitation of a given vibrational mode exceeds heat dissipation, a situation known as vibrational instability is established, which can seriously compromise the integrity of the junction. Using out of equilibrium first-principles calculations, we demonstrate that vibrational instabilities can take place in the general case of molecular wires with separated unoccupied electronic states. From the ab initio results, we derive a model to characterize unstable vibrational modes and construct a diagram that maps mode stability. These results generalize previous theoretical work and predict vibrational instabilities in a new regime.

Rotational spectra in the ν2 vibrationally excited states of MgNC

NASA Astrophysics Data System (ADS)

Kagi, E.; Kawaguchi, K.; Takano, S.; Hirano, T.

1996-01-01

The pure rotational spectra of MgNC in the ν2 (bending) vibrationally excited states were observed in the 310-380 GHz region to study the linearity of the molecule. The observed 90 spectral lines were assigned to the transitions in the v2=1-5 states and analyzed to determine a set of molecular constants in each state. The bending vibrational frequency was estimated to be 86 cm-1 from the l-type doubling constant of the v2=1 state. The interval of the Φ and Π states in v2=3 was determined to be 29.2280(24) cm-1, giving the anharmonicity constant xll=3.8611(9) cm-1 with one standard deviation in parentheses, which indicates that the molecule has a linear form. However, somewhat peculiar properties were recognized in dependence of the observed l-type resonance and vibration-rotation constants on the v2 vibrational quantum number, suggesting an effect of anharmonicity.

Molecular vibrational states during a collision

NASA Technical Reports Server (NTRS)

Recamier, Jose A.; Jauregui, Rocio

1995-01-01

Alternative algebraic techniques to approximate a given Hamiltonian by a harmonic oscillator are described both for time-independent and time-dependent systems. We apply them to the description of a one dimensional atom-diatom collision. From the resulting evolution operator, we evaluate vibrational transition probabilities as well as other time-dependent properties. As expected, the ground vibrational state becomes a squeezed state during the collision.

Vibrational dynamics of aniline(Ar)1 and aniline(CH4)1 clusters

NASA Astrophysics Data System (ADS)

Nimlos, M. R.; Young, M. A.; Bernstein, E. R.; Kelley, D. F.

1989-11-01

The first excited electronic state (S1) vibrational dynamics of aniline(Ar)1 and aniline(CH4)1 van der Waals (vdW) clusters have been studied using molecular jet and time resolved emission spectroscopic techniques. The rates of intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) as functions of vibrational energy are reported for both clusters. For vibrational energy in excess of the cluster binding energy, both clusters are observed to dissociate. The dispersed emission spectra of these clusters demonstrate that aniline(Ar)1 dissociates to all energetically accessible bare molecule states and that aniline(CH4)1 dissociates selectively to only the bare molecule vibrationless state. The emission kinetics show that in the aniline(Ar)1 case, the initially excited states have nanosecond lifetimes, and intermediate cluster states have very short lifetimes. In contrast, the initially excited aniline(CH4)1 states and other intermediate vibrationally excited cluster states are very short lived (<100 ps), and the intermediate cluster 00 state is observed. These results can be understood semiquantitatively in terms of an overall serial IVR/VP mechanism which consists of the following: (1) the rates of chromophore to vdW mode IVR are given by Fermi's golden rule, and the density of vdW vibrational states is the most important factor in determining the relative [aniline(Ar)1 vs aniline(CH4)1] rates of IVR; (2) IVR among the vdW modes is rapid; and (3) VP rates can be calculated by a restricted vdW mode phase space Rice-Ramsberger-Kassel-Marcus theory. Since the density of vdW states is three orders of magnitude greater for aniline(CH4)1 than aniline(Ar)1 at 700 cm-1, the model predicts that IVR is slow and rate limiting in aniline(Ar)1, whereas VP is slow and rate limiting in aniline(CH4)1. The agreement of these predictions with the experimental results is very good and is discussed in detail.

Effect of vibration frequency on agonist and antagonist arm muscle activity.

PubMed

Rodríguez Jiménez, Sergio; Benítez, Adolfo; García González, Miguel A; Moras Feliu, Gerard; Maffiuletti, Nicola A

2015-06-01

This study aimed to assess the effect of vibration frequency (f out) on the electromyographic (EMG) activity of the biceps brachii (BB) and triceps brachii (TB) muscles when acting as agonist and antagonist during static exercises with different loads. Fourteen healthy men were asked to hold a vibratory bar as steadily as possible for 10 s during lying row (pulling) and bench press (pushing) exercise at f out of 0 (non-vibration condition), 18, 31 and 42 Hz with loads of 20, 50, and 80 % of the maximum sustainable load (MSL). The root mean square of the EMG activity (EMGRMS) of the BB and TB muscles was expressed as a function of the maximal EMGRMS for respective muscles to characterize agonist activation and antagonist coactivation. We found that (1) agonist activation was greater during vibration (42 Hz) compared to non-vibration exercise for the TB but not for the BB muscle (p < 0.05); (2) antagonist activation was greater during vibration compared to non-vibration exercise for both BB (p < 0.01) and TB (p < 0.05) muscles; (3) the vibration-induced increase in antagonist coactivation was proportional to vibration f out in the range 18-42 Hz and (4) the vibration-induced increase in TB agonist activation and antagonist coactivation occurred at all loading conditions in the range 20-80 % MSL. The use of high vibration frequencies within the range of 18-42 Hz can maximize TB agonist activation and antagonist activation of both BB and TB muscles during upper limb vibration exercise.

Hormonal and neuromuscular responses to mechanical vibration applied to upper extremity muscles.

PubMed

Di Giminiani, Riccardo; Fabiani, Leila; Baldini, Giuliano; Cardelli, Giovanni; Giovannelli, Aldo; Tihanyi, Jozsef

2014-01-01

To investigate the acute residual hormonal and neuromuscular responses exhibited following a single session of mechanical vibration applied to the upper extremities among different acceleration loads. Thirty male students were randomly assigned to a high vibration group (HVG), a low vibration group (LVG), or a control group (CG). A randomized double-blind, controlled-parallel study design was employed. The measurements and interventions were performed at the Laboratory of Biomechanics of the University of L'Aquila. The HVG and LVG participants were exposed to a series of 20 trials ×10 s of synchronous whole-body vibration (WBV) with a 10-s pause between each trial and a 4-min pause after the first 10 trials. The CG participants assumed an isometric push-up position without WBV. The outcome measures were growth hormone (GH), testosterone, maximal voluntary isometric contraction during bench-press, maximal voluntary isometric contraction during handgrip, and electromyography root-mean-square (EMGrms) muscle activity (pectoralis major [PM], triceps brachii [TB], anterior deltoid [DE], and flexor carpi radialis [FCR]). The GH increased significantly over time only in the HVG (P = 0.003). Additionally, the testosterone levels changed significantly over time in the LVG (P = 0.011) and the HVG (P = 0.001). MVC during bench press decreased significantly in the LVG (P = 0.001) and the HVG (P = 0.002). In the HVG, the EMGrms decreased significantly in the TB (P = 0.006) muscle. In the LVG, the EMGrms decreased significantly in the DE (P = 0.009) and FCR (P = 0.006) muscles. Synchronous WBV acutely increased GH and testosterone serum concentrations and decreased the MVC and their respective maximal EMGrms activities, which indicated a possible central fatigue effect. Interestingly, only the GH response was dependent on the acceleration with respect to the subjects' responsiveness.

Nonharmonicity in vibrated granular solids

NASA Astrophysics Data System (ADS)

Schreck, Carl

2012-02-01

We have shown that granular packings composed of frictionless particles with repulsive contact interactions are strongly nonharmonic. When infinitesimally perturbed along linear response eigenmodes of the static packing, energy leaks from the original mode of vibration to a continuum of frequencies due solely to contact breaking even when the system is under significant compression. Further, vibrated packings possess well-defined equilibrium positions that are different than those of the unperturbed packing. The vibrational density of states obtained using the displacement matrix and velocity autocorrelation function methods exhibit an increase in the number of low-frequency modes over that obtained from linear response of the static packing. The form of the density of states in vibrated granular packings is reminiscent of the low-frequency behavior of the vibrational density of states in fluid systems. We also investigate the effects of inter-particle friction, dissipation, particle shape, and degree of positional order on the density of states and thermal transport properties in driven granular packings.

Probing the Vibrational Spectroscopy of the Deprotonated Thymine Radical by Photodetachment and State-Selective Autodetachment Photoelectron Spectroscopy via Dipole-Bound States

NASA Astrophysics Data System (ADS)

Huang, Dao-Ling; Zhu, Guo-Zhu; Wang, Lai-Sheng

2016-06-01

Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]^- or N3[T-H]^-. Here we report a photodetachment study of the N1[T-H]^- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 238 ± 5 wn below the detachment threshold of N1[T-H]^-. The electron affinity of the deprotonated thymine radical (N1[T-H]^.) is measured accruately to be 26 322 ± 5 wn (3.2635 ± 0.0006 eV). By tuning the detachment laser to the sixteen vibrational levels of the dipole-bound state that are above the detachment threshold, highly non-Franck-Condon resonant-enhanced photoelectron spectra are obtained due to state- and mode-selective vibrational autodetachment. Much richer vibrational information is obtained for the deprotonated thymine radical from the photodetachment and resonant-enhanced photoelectron spectroscopy. Eleven fundamental vibrational frequencies in the low-frequency regime are obtained for the N1[T-H]^. radical, including the two lowest-frequency internal rotational modes of the methyl group at 70 ± 8 wn and 92 ± 5 wn. D. L. Huang, H. T. Liu, C. G. Ning, G. Z. Zhu and L. S. Wang, Chem. Sci., 6, 3129-3138 (2015)

Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate

NASA Astrophysics Data System (ADS)

Śmialek, Malgorzata A.; Łabuda, Marta; Guthmuller, Julien; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limão-Vieira, Paulo

2016-06-01

The high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5-10.7 eV (275.5-116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the upper stratosphere (20-50 km). Calculations have also been carried out to determine the ionisation energies and fine structure of the lowest ionic state of ethyl acetate and are compared with a newly recorded photoelectron spectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the first photoelectron band of this molecule for the first time.

Terahertz vibration-rotation-tunneling (VRT) spectroscopy of the d6-water trimer: Complete characterization of the 2.94 THz torsional band ( kn = ±2 1 ← 0 0)

NASA Astrophysics Data System (ADS)

Han, Jia-xiang; Takahashi, Lynelle K.; Lin, Wei; Lee, Eddy; Keutsch, Frank N.; Saykally, Richard J.

2006-06-01

We report the measurement and analysis of the complete perpendicular kn = ±2 1 ← 0 0 (D 2O) 3 torsional band (origin 2940.9376(3) GHz), the upper state of which is the highest-energy (98.09912 cm -1) torsional state yet observed. All known torsional transitions were included in a new global analysis of the six observed torsional bands, using the effective Hamiltonians derived by van der Avoird et al. [M. R. Viant, M. G. Brown, J. D. Cruzan, R. J. Saykally, M. Geleijns, A. van der Avoird, J. Chem. Phys. 110 (1999) 4369; A. van der Avoird, E. H. T. Olthof, P. E. S. Wormer, J. Chem. Phys. 105 (1996) 8034]. The experimental results will facilitate the descriptions of three-body interactions in water intermolecular potential energy surfaces (IPSs).

Relaxation dynamics and coherent energy exchange in coupled vibration-cavity polaritons (Conference Presentation)

NASA Astrophysics Data System (ADS)

Simpkins, Blake S.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Spann, Bryan T.; Owrutsky, Jeffrey C.

2016-09-01

Coherent coupling between an optical transition and confined optical mode have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we demonstrate both static and dynamic results for vibrational bands strongly coupled to optical cavities. We experimentally and numerically describe strong coupling between a Fabry-Pérot cavity and carbonyl stretch ( 1730 cm 1) in poly-methylmethacrylate and provide evidence that the mixed-states are immune to inhomogeneous broadening. We investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of a urethane monomer. Rabi splittings are in excellent agreement with an analytical description using no fitting parameters. Ultrafast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band, as well as drastically modified relaxation rates. We speculate these modified kinetics are a consequence of the energy proximity between the vibration-cavity polariton modes and excited state transitions and that polaritons offer an alternative relaxation path for vibrational excitations. Varying the polariton energies by angle-tuning yields transient results consistent with this hypothesis. Furthermore, Rabi oscillations, or quantum beats, are observed at early times and we see evidence that these coherent vibration-cavity polariton excitations impact excited state population through cavity losses. Together, these results indicate that cavity coupling may be used to influence both excitation and relaxation rates of vibrations. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied in steady state and dynamically.

The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Jun; Park, G. Barratt; Field, Robert W.

A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

DOE PAGES

Jiang, Jun; Park, G. Barratt; Field, Robert W.

2016-04-14

A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

Fluorescence excitation and emission spectroscopy of the X(1)A' --> A(1)A'' system of CHI and CDI.

PubMed

Tao, Chong; Ebben, Carlena; Reid, Scott A

2009-11-26

We report on the first detailed studies of the spectroscopy of an iodocarbene, measuring fluorescence excitation and emission spectra of the X1A' --> A1A'' system of :CHI and the deuterated isotopomer :CDI. Due to similar bending and C-I stretching frequencies in the upper state, fluorescence excitation spectra of :CHI show polyads composed of members of the 2(0)(n-x)3(0)x progressions with x = 0-3. For :CDI, only progressions with x = 0, 1 are observed. Extrapolation of the 20n term energies for both isotopomers to a common origin places the electronic origin of the X1A' --> A1A'' system near 10500 cm-1, in good agreement with theoretical predictions. Rotational analysis of the 16 observed bands for CHI and 13 observed bands for :CDI yields rotational constants for the upper and lower states that are also in good agreement with theory. To investigate the controversial issue of the ground state multiplicity of :CHI, we measured single vibronic level emission spectra from many A1A'' levels. These spectra show conclusively that the ground state is a singlet, as for both isotopomers the ã3A'' origin is observed, lying well above the origin of the X1A' state. At energies above the ã3A'' origin, the spin-orbit mixing is so severe that few vibrational assignments can be made. Analysis of the emission spectra provides a lower limit on the singlet-triplet gap of 4.1 kcal mol-1, in excellent agreement with theoretical predictions.

Watching the coherence of multiple vibrational states in organic dye molecules by using supercontinuum probing photon echo spectroscopy

NASA Astrophysics Data System (ADS)

Yu, Guoyang; Song, Yunfei; Wang, Yang; He, Xing; Liu, Yuqiang; Liu, Weilong; Yang, Yanqiang

2011-12-01

A modified photon echo (PE) technique, the supercontinuum probing photon echo (SCPPE), is introduced and performed to investigate the vibrational coherence in organic dye IR780 perchlorate doped polyvinyl alcohol (PVA) film. The coherences of multiple vibrational states which belong to four vibrational modes create complex oscillations in SCPPE signal. The frequencies of vibrational modes are confirmed from the results of Raman calculation which accord fairly well with the results of Raman scattering experiment. Compared with conventional one-color PE, the SCPPE technique can realize broadband detection and make the experiment about vibrational coherence more efficient.

Standardised method of determining vibratory perception thresholds for diagnosis and screening in neurological investigation.

PubMed Central

Goldberg, J M; Lindblom, U

1979-01-01

Vibration threshold determinations were made by means of an electromagnetic vibrator at three sites (carpal, tibial, and tarsal), which were primarily selected for examining patients with polyneuropathy. Because of the vast variation demonstrated for both vibrator output and tissue damping, the thresholds were expressed in terms of amplitude of stimulator movement measured by means of an accelerometer, instead of applied voltage which is commonly used. Statistical analysis revealed a higher power of discimination for amplitude measurements at all three stimulus sites. Digital read-out gave the best statistical result and was also most practical. Reference values obtained from 110 healthy males, 10 to 74 years of age, were highly correlated with age for both upper and lower extremities. The variance of the vibration perception threshold was less than that of the disappearance threshold, and determination of the perception threshold alone may be sufficient in most cases. PMID:501379

VizieR Online Data Catalog: A variationally computed hot NH3 line list - BYTe (Yurchenko+, 2011)

NASA Astrophysics Data System (ADS)

Yurchenko, S. N.; Barber, R. J.; Tennyson, J.

2010-11-01

We present 'BYTe' a comprehensive 'hot' line list of ro-vibrational transitions of ammonia, 14NH3, in its ground electronic state. It comprises 1,138,323,351 transitions with frequencies up to 12,000cm-1^, constructed from 1,373,897 energy levels below 18,000cm-1^ having J values less than 37. The line list is sufficiently accurate and complete for high resolution spectroscopy and atmospheric modelling of astrophysical objects, including brown dwarfs and exoplanets at temperatures up to 1,500K. The data are in two parts. The first, nh3_0-41.dat contains a list of 4,167,360 rovibrational states, ordered by J (max= 41), symmetry block and energy (in cm-1^). Only one third of the states (1,373,897) are within the parameters used for generating transitions (see above), but all the states are required for computing temperature-dependent partition functions. Each state is labelled with: seven normal mode vibrational quantum numbers; three rotational quantum numbers and the total symmetry quantum number, Gamma. In addition there are six local mode vibrational numbers and a local mode vibrational symmetry quantum numbers, which we include because the basis set used in our calculations is expressed in terms of these local mode quantum numbers. Each rovibrational state has a unique number, which is the number of the row in which it appears in the file. This number is the means by which the state is related to the second part of the data system, the transitions files. Because of their size, the transitions are listed in 120 separate files, each containing all the transitions in a 100cm-1^ frequency range. These and their contents are ordered by increasing frequency. The name of the file includes the lowest frequency in the range; thus the a-00500.dat file contains all the transitions in the frequency range 500-600cm-1^. The transition files contain three columns: the reference number in the energy file of the upper state; that of the lower state; and the Einstein A coefficient of the transition. The energy file and the transitions files are zipped, and need to be extracted before use. There is a Fortran 90 programme, sp_byte.f90 which may be used to generate synthetic spectra (see sp_byte.txt for details). Using this, it is possible to generate absorption or emission spectra in either 'stick' form or else convoluted with a gaussian with the half-width at half maximum being specified by the user, or with a the temperature-dependent doppler half-width. Three sample input files for use with sp_byte.f90 are supplied: "stick300.in", "gauss300.in", and "sp08900.in" (generates a spectrum for 8900-9000cm-1^). (126 data files).

Direct Determination of Vibrational Density of States Change on Ligand Binding to a Protein

NASA Astrophysics Data System (ADS)

Balog, Erika; Becker, Torsten; Oettl, Martin; Lechner, Ruep; Daniel, Roy; Finney, John; Smith, Jeremy C.

2004-07-01

The change in the vibrational density of states of a protein (dihydrofolate reductase) on binding a ligand (methotrexate) is determined using inelastic neutron scattering. The vibrations of the complex soften significantly relative to the unbound protein. The resulting free-energy change, which is directly determined by the density of states change, is found to contribute significantly to the binding equilibrium.

Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schubert, Alexander, E-mail: schubert@irsamc.ups-tlse.fr; Meier, Christoph; Falvo, Cyril

2016-08-07

We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the “surfaces” for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking themore » molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.« less

A spectroscopist's view of energy states, energy transfers, and chemical reactions.

PubMed

Moore, C Bradley

2007-01-01

This chapter describes a research career beginning at Berkeley in 1960, shortly after Sputnik and the invention of the laser. Following thesis work on vibrational spectroscopy and the chemical reactivity of small molecules, we studied vibrational energy transfers in my own lab. Collision-induced transfers among vibrations of a single molecule, from one molecule to another, and from vibration to rotation and translation were elucidated. My research group also studied the competition between vibrational relaxation and chemical reaction for potentially reactive collisions with one molecule vibrationally excited. Lasers were used to enrich isotopes by the excitation of a predissociative transition of a selected isotopomer. We also tested the hypotheses of transition-state theory for unimolecular reactions of ketene, formaldehyde, and formyl fluoride by (a) resolving individual molecular eigenstates above a dissociation threshold, (b) locating vibrational levels at the transition state, (c) observing quantum resonances in the barrier region for motion along a reaction coordinate, and (d) studying energy release to fragments.

Nitric oxide excited under auroral conditions: Excited state densities and band emissions

NASA Astrophysics Data System (ADS)

Cartwright, D. C.; Brunger, M. J.; Campbell, L.; Mojarrabi, B.; Teubner, P. J. O.

2000-09-01

Electron impact excitation of vibrational levels in the ground electronic state and nine excited electronic states in NO has been simulated for an IBC II aurora (i.e., ˜10 kR in 3914 Å radiation) in order to predict NO excited state number densities and band emission intensities. New integral electron impact excitation cross sections for NO were combined with a measured IBC II auroral secondary electron distribution, and the vibrational populations of 10 NO electronic states were determined under conditions of statistical equilibrium. This model predicts an extended vibrational distribution in the NO ground electronic state produced by radiative cascade from the seven higher-lying doublet excited electronic states populated by electron impact. In addition to significant energy storage in vibrational excitation of the ground electronic state, both the a 4Π and L2 Φ excited electronic states are predicted to have relatively high number densities because they are only weakly connected to lower electronic states by radiative decay. Fundamental mode radiative transitions involving the lowest nine excited vibrational levels in the ground electronic state are predicted to produce infrared (IR) radiation from 5.33 to 6.05 μm with greater intensity than any single NO electronic emission band. Fundamental mode radiative transitions within the a 4Π electronic state, in the 10.08-11.37 μm region, are predicted to have IR intensities comparable to individual electronic emission bands in the Heath and ɛ band systems. Results from this model quantitatively predict the vibrational quantum number dependence of the NO IR measurements of Espy et al. [1988].

Enhancement of the dynamic Casimir effect within a metal photonic crystal

NASA Astrophysics Data System (ADS)

Ueta, Tsuyoshi

2013-05-01

If the counterposed metal plates are vibrated, when the gap between the plates becomes narrow, the energy of stationary states between the plates increases, and when it spreads, the energy decreases. Light with the energy for this energy difference arises. This is called dynamical Casimir effect. The author has so far investigated the interaction between lattice vibration and light in a one-dimensional metal photonic crystal whose stacked components are artificially vibrated by using actuators. A simple model was numerically analyzed, and the following novel phenomena were found out. The lattice vibration generates the light of frequency which added the integral multiple of the vibration frequency to that of the incident wave and also amplifies the incident wave resonantly. On a resonance, the amplification factor increases very rapidly with the number of layers. Resonance frequencies change with the phases of lattice vibration. The amplification phenomenon was analytically discussed for low frequency of the lattice vibration and is confirmed by numerical works. The lattice-vibrating metal photonic crystal is a system of dynamical Casimir effect connected in series, and so we can expect that a dynamical Casimir effect is enhanced by the photonic band effect. In the present study, when an electromagnetic field between metal plates is in the ground state in a one-dimensional metal photonic crystal, the radiation of electromagnetic wave in excited states has been investigated by artificially introducing lattice vibration to the photonic crystal. In this case as well as a dynamical Casimir effect, it has been shown that the harmonics of a ground state are generated just by vibrating a photonic crystal even without an incident wave. The dependencies of the radiating power on the number of layers and on the wavenumber of the lattice vibration are remarkable. It has found that the radiation amplitude on lower excited states is not necessarily large and radiation on specific excited levels is large.

Structural Analysis of Pressurized Small Diameter Lines in a Random Vibration Environment

NASA Technical Reports Server (NTRS)

Davis, Mark; Ridnour, Andrew; Brethen, Mark

2011-01-01

The pressurization and propellant feed lines for the Ares 1 Upper Stage Reaction and Roll Control Systems (ReCS and RoCS) were required to be in a high g-load random vibration flight environment. The lines connected the system components and were filled with both liquid hydrazine and gaseous helium. They are considered small and varied between one fourth to one inch in diameter. The random vibration of the lines was considered to be base excitation through the mating components and mounting hardware. It was found that reducing the amount of support structure for the lines added flexibility to the system and improved the line stresses from random vibration, but caused higher stresses from the static g-loads. The locations and number of brackets were optimized by analyzing the mode shapes of the lines causing high stresses. The use of brackets that only constrain motion in the direction of concern further reduced the stresses in the lines. Finite element analysis was used to perform the analysis. The lines were pre-stressed by temperature and internal pressure with fluid and insulation included as non-structural mass. Base excitation was added to the model using Power Spectral Density (PSD) data for the expected flight loads. The random vibration and static g-load cases were combined to obtain the total stress in the lines. This approach advances the state of the art in line analysis by using FEA to predict the stresses in the lines and to optimize the entire system based on the expected flight environment. Adding flexibility to lines has been used in piping system for temperature loads, but in flight environments flexibility has been limited for the static stresses. Adding flexibility to the system in a flight environment by reducing brackets has the benefit of reducing stresses and weight

State-of-the-Art Review : Prediction and Control of Groundborne Noise and Vibration from Rail Transit Trains

DOT National Transportation Integrated Search

1983-12-01

This report provides a comprehensive review of the state-of-the-art in the prediction and control of groundborne noise and vibration. Various types of impact criteria are reviewed for groundborne noise and vibration, building damage, and soil settlem...

Infrared vibrational spectroscopy of [Ru(bpy)2(bpm)]2+ and [Ru(bpy)3]2+ in the excited triplet state.

PubMed

Mukuta, Tatsuhiko; Fukazawa, Naoto; Murata, Kei; Inagaki, Akiko; Akita, Munetaka; Tanaka, Sei'ichi; Koshihara, Shin-ya; Onda, Ken

2014-03-03

This work involved a detailed investigation into the infrared vibrational spectra of ruthenium polypyridyl complexes, specifically heteroleptic [Ru(bpy)2(bpm)](2+) (bpy = 2,2'-bipyridine and bpm = 2,2'-bipyrimidine) and homoleptic [Ru(bpy)3](2+), in the excited triplet state. Transient spectra were acquired 500 ps after photoexcitation, corresponding to the vibrational ground state of the excited triplet state, using time-resolved infrared spectroscopy. We assigned the observed bands to specific ligands in [Ru(bpy)2(bpm)](2+) based on the results of deuterium substitution and identified the corresponding normal vibrational modes using quantum-chemical calculations. Through this process, the more complex vibrational bands of [Ru(bpy)3](2+) were assigned to normal vibrational modes. The results are in good agreement with the model in which excited electrons are localized on a single ligand. We also found that the vibrational bands of both complexes associated with the ligands on which electrons are little localized appear at approximately 1317 and 1608 cm(-1). These assignments should allow the study of the reaction dynamics of various photofunctional systems including ruthenium polypyridyl complexes.

Production of a beam of highly vibrationally excited CO using perturbations.

PubMed

Bartels, Nils; Schäfer, Tim; Hühnert, Jens; Field, Robert W; Wodtke, Alec M

2012-06-07

An intense molecular beam of CO (X(1)Σ(+)) in high vibrational states (v = 17, 18) was produced by a new approach that we call PUMP - PUMP - PERTURB and DUMP. The basic idea is to access high vibrational states of CO e(3)Σ(-) via a two-photon doubly resonant transition that is perturbed by the A(1)Π state. DUMP -ing from this mixed (predominantly triplet) state allows access to high vibrational levels of CO (X(1)Σ(+)). The success of the approach, which avoids the use of vacuum UV radiation in any of the excitation steps, is proven by laser induced fluorescence and resonance enhanced multi-photon ionization spectroscopy.

Production of a beam of highly vibrationally excited CO using perturbations

NASA Astrophysics Data System (ADS)

Bartels, Nils; Schäfer, Tim; Hühnert, Jens; Field, Robert W.; Wodtke, Alec M.

2012-06-01

An intense molecular beam of CO (X1Σ+) in high vibrational states (v = 17, 18) was produced by a new approach that we call PUMP - PUMP - PERTURB and DUMP. The basic idea is to access high vibrational states of CO e3Σ- via a two-photon doubly resonant transition that is perturbed by the A1Π state. DUMP -ing from this mixed (predominantly triplet) state allows access to high vibrational levels of CO (X1Σ+). The success of the approach, which avoids the use of vacuum UV radiation in any of the excitation steps, is proven by laser induced fluorescence and resonance enhanced multi-photon ionization spectroscopy.

Vibrational structure of the S 2 (1B u) excited state of diphenyloctatetraene observed by femtosecond stimulated Raman spectroscopy

NASA Astrophysics Data System (ADS)

Kukura, Philipp; McCamant, David W.; Davis, Paul H.; Mathies, Richard A.

2003-11-01

Femtosecond time-resolved stimulated Raman spectroscopy (FSRS) is used to study the vibrational structure and dynamics of the S 2 state of diphenyloctatetraene. Strong vibrational features at 1184, 1259 and 1578 cm -1 whose linewidths are determined by the S 2 electronic lifetime are observed at early times after photoexcitation at 397 nm. Kinetic analysis of the integrated Raman intensities as well as the transient absorption reveals an exponential decay of the S 2 state on the order of 100 fs. These results demonstrate the ability of FSRS to study the vibrational structure of excited state and chemical reaction dynamics on the femtosecond timescale.

Interference effects on vibration-mediated tunneling through interacting degenerate molecular states.

PubMed

Zhong, X; Cao, J C

2009-07-22

We study the combined effects of quantum electronic interference and Coulomb interaction on electron transport through near-degenerate molecular states with strong electron-vibration interaction. It is found that quantum electronic interference strongly affects the current and its noise properties. In particular, destructive interference induces pronounced negative differential conductances (NDCs) accompanying the vibrational excited states, and such NDC characters are not related to asymmetric tunnel coupling and are robust to the damping of a thermal bath. In a certain transport regime, the non-equilibrium vibration distribution even shows a peculiar sub-Poissonian behavior, which is enhanced by quantum electronic interference.

CO concentration in the upper stratosphere and mesosphere of Titan: non-LTE analysis of VIMS dayside limb observations at 4.7 mu m.

NASA Astrophysics Data System (ADS)

Fabiano, F.; Lopez-Puertas, M.; Adriani, A.; Moriconi, M. L.; D'Aversa, E.; Funke, B.; Lopez-Valverde, M. A.; Ridolfi, M.; Dinelli, B. M.

During the last 20 years, many works have focused on the atmospheric concentration of CO on Titan, giving contradictory results. In particular, no measurement of the CO abundance above 300 km has been done yet, due to the faint emission of CO above that altitude. On the other hand, such a study is particularly awaited as a confirmation of photochemical models that predict a uniform volume mixing ratio of CO in the whole Titan's atmosphere. Moreover, given that CO is the main reservoir of oxygen in Titan's atmosphere and its presence is linked to water, the matter is of astrobiological interest too. The analysis of VIMS (Visual & Infrared Mapping Spectrometer, onboard Cassini) daytime limb measurements of Titan at 4.7 mu m, corresponding to the vibrational bands of CO, allows such a study: CO molecules are significantly excited by solar radiation and the otherwise faint infrared signal of the upper atmosphere is large, allowing to probe this region too. On the other hand, the strong non-LTE behavior of CO infrared emission above 200 km, strongly coupled to N2 and CH4 vibrational levels, represents an extra complexity of the data analysis. In order to deal with CO non-LTE emission, we have developed a non-LTE excitation - de- excitation model for the first two CO vibrational levels of the two most abundant isotopo- logues. We consider the contribution of absorption of radiation in the fundamental, first hot and first overtone bands and evaluate the possible contribution of different collisional processes, mainly the coupling with the first excited state of N2 and with several levels of CH4. The solution of the non-LTE problem is obtained \\citep{Funke2012} through GRANADA , a non-LTE population algorithm based on Lambda iteration resolution strategy, eventually coupled to a Curtis-Matrix type approach. The result shows a significant over-population of the first vibrational level above 300km and of the second level in the whole atmosphere. The possibility of further pathways for CO(1) (de)-excitation, mainly through vibrational energy transfer from - to the excited states of CH4, is explored and seems to be crucial for establishing its population. We then analyze the spectra acquired by VIMS between 2004 and 2013 in the 4.7 mu m region, for daytime conditions. Considering the non-LTE populations obtained above, the retrieval of CO concentration is performed with the aid of Geofit Broad Band, a non- LTE line-by-line radiative transfer code coupled to a bayesian inversion method, initially developed for the Earth's atmosphere and later adapted to other planetary atmospheres \\citep{Adriani2011}. The low signal-to-noise ratio and spectral resolution of the instrument considerably complicate the data analysis. Moreover, the scattered solar radiation is not negligible below 350 km and dominates over atmospheric emission below 200 km, and hence it is taken into account as well. CO relative abundance profiles are finally obtained and discussed in the light of photochemical models predictions.

Signature of nonadiabatic coupling in excited-state vibrational modes.

PubMed

Soler, Miguel A; Nelson, Tammie; Roitberg, Adrian E; Tretiak, Sergei; Fernandez-Alberti, Sebastian

2014-11-13

Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been considered. In all cases except the NP model, the influence of the nonadiabatic coupling on the excited-state equilibrium normal modes is revealed as a unique highest frequency adiabatic vibrational mode that overlaps with the coupling vector. This feature is removed by using a locally diabatic representation in which the effect of NA interaction is removed. Comparison of the original adiabatic modes with a set of vibrational modes computed in the locally diabatic representation demonstrates that the effect of nonadiabaticity is confined to only a few modes. This suggests that the nonadiabatic character of a molecular system may be detected spectroscopically by identifying these unique state-specific high frequency vibrational modes.

The dynamic Casimir effect within a vibrating metal photonic crystal

NASA Astrophysics Data System (ADS)

Ueta, Tsuyoshi

2014-09-01

The lattice-vibrating metal photonic crystal is exactly a system of dynamical Casimir effect connected in series, and so we can expect that a dynamical Casimir effect is enhanced by the photonic band effect. In the present study, when an electromagnetic field between metal plates is in the ground state in a one-dimensional metal photonic crystal, the radiation of electromagnetic wave in excited states has been investigated by artificially introducing lattice vibration to the photonic crystal. In this case as well as a dynamical Casimir effect, it has been shown that the harmonics of a ground state are generated just by vibrating a photonic crystal even without an incident wave. The dependencies of the radiating power on the number of layers and on the wavenumber of the lattice vibration are remarkable. It has been found that the radiation amplitude on lower excited states is not necessarily large and radiation on specific excited levels is large.

{gamma}-vibrational states in superheavy nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun Yang; Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000; Joint Institute for Nuclear Astrophysics, University of Notre Dame, Notre Dame, Indiana 46556

2008-04-15

Recent experimental advances have made it possible to study excited structure in superheavy nuclei. The observed states have often been interpreted as quasiparticle excitations. We show that in superheavy nuclei collective vibrations systematically appear as low-energy excitation modes. By using the microscopic Triaxial Projected Shell Model, we make a detailed prediction on {gamma}-vibrational states and their E2 transition probabilities to the ground state band in fermium and nobelium isotopes where active structure research is going on, and in {sup 270}Ds, the heaviest isotope where decay data have been obtained for the ground-state and for an isomeric state.

Collisional Removal of OH (X (sup 2)Pi, nu=7) by O2, N2, CO2, and N2O

NASA Technical Reports Server (NTRS)

Knutsen, Karen; Dyer, Mark J.; Copeland, Richard A.

1996-01-01

Collisional removal rate constants for the OH (X 2PI, nu = 7) radical are measured for the colliders O2, CO2, and N2O, and an upper limit is established for N2. OH(nu = 4) molecules, generated in a microwave discharge flow cell by the reaction of hydrogen atoms with ozone, are excited to v = 7 by the output of a pulsed infrared laser via direct vibrational overtone excitation. The temporal evolution of the P = 7 population is probed as a function of the collider gas partial pressure by a time-delayed pulsed ultraviolet laser. Fluorescence from the B 21 + state is detected in the visible spectral region.

Stabilization of axisymmetric liquid bridges through vibration-induced pressure fields.

PubMed

Haynes, M; Vega, E J; Herrada, M A; Benilov, E S; Montanero, J M

2018-03-01

Previous theoretical studies have indicated that liquid bridges close to the Plateau-Rayleigh instability limit can be stabilized when the upper supporting disk vibrates at a very high frequency and with a very small amplitude. The major effect of the vibration-induced pressure field is to straighten the liquid bridge free surface to compensate for the deformation caused by gravity. As a consequence, the apparent Bond number decreases and the maximum liquid bridge length increases. In this paper, we show experimentally that this procedure can be used to stabilize millimeter liquid bridges in air under normal gravity conditions. The breakup of vibrated liquid bridges is examined experimentally and compared with that produced in absence of vibration. In addition, we analyze numerically the dynamics of axisymmetric liquid bridges far from the Plateau-Rayleigh instability limit by solving the Navier-Stokes equations. We calculate the eigenfrequencies characterizing the linear oscillation modes of vibrated liquid bridges, and determine their stability limits. The breakup process of a vibrated liquid bridge at that stability limit is simulated too. We find qualitative agreement between the numerical predictions for both the stability limits and the breakup process and their experimental counterparts. Finally, we show the applicability of our technique to control the amount of liquid transferred between two solid surfaces. Copyright © 2017 Elsevier Inc. All rights reserved.

Effects of different vibration exercises on bench press.

PubMed

Marín, P J; Torres-Luque, G; Hernández-García, R; García-López, D; Garatachea, N

2011-10-01

This study was undertaken to analyze the effects of different vibration recovery strategies via feet or hands on the number of repetitions performed and on mean velocity, peak velocity and blood lactate concentration during consecutive bench-press sets. 9 elite judo athletes performed 3 sets of bench press at 60% of one-repetition maximum (1RM), leading to failure and allowing a 180 s rest period between sets. During the rest period, 1 of the 3 following procedures was performed: 150 s rest plus 30 s push-up vibration exercise (Push-up), 150 s rest plus 30 s squat vibration exercise (Squat) or 180 s only rest (Passive). Statistical analysis revealed that the Squat condition resulted in a significant increase in the number of repetitions achieved, in comparison with all other rest strategies. However, kinematic parameters and blood lactate concentration were not affected by vibration. These data suggest that a vibration stimulus applied to the feet, between sets, can result in positive improvements in upper body resistance exercise performance. Although the mechanisms are not fully understood, this positive effect of vibration could be due to an increased motor cortex excitability and voluntary drive. © Georg Thieme Verlag KG Stuttgart · New York.

The Spectroscopy and Photophysics of Aniline, 2-AMINOPYRIDINE, and 3-AMINOPYRIDINE

NASA Astrophysics Data System (ADS)

Kim, Byungjoo

1995-01-01

Two-photon ionization photoelectron spectroscopic techniques have been employed in concert with a picosecond laser system and molecular beam machine to study the vibrational structure of molecular ions and the intramolecular dynamics of optically prepared intermediate states. From photoelectron spectra of 2-aminopyridine via various S_1 vibronic resonances, the frequencies of several vibrations in the ionic state are assigned. The ionization potential of the molecule is found to be 8.099 +/- 0.003 eV. Using two-color ionization techniques, the electronic overlap effects in the photoionization of excited molecules have been studied, on the example of 2-aminopyridine, 3-aminopyridine, and aniline. The molecules are excited to their S_1 states, and ionized by a 200 nm laser pulse within 50 ps. The spectra of the aminopyridines show a striking absence of transitions to excited electronic states of the ions, indicating small electronic overlap factors in the ionization transitions and very little configuration interaction in the S _1 states. The spectra of aniline show the vibrationally resolved first excited electronic state band of the ion, which is very weak compared to the ground electronic state band, indicating a small amount of orbital mixing in the S_1 state. The vibrational peaks in the band were assigned by comparison of the spectra via two different vibronic resonances. The observations demonstrate that electronic overlap effects play a very general role in the ionization of polyatomic molecules in electronically excited states, and that orbital mixing patterns of the excited electronic states may become observable by projecting molecular electronic wavefunctions onto the ion states. In the time-delayed experiments for these molecules, all spectra reveal only one product of the nonradiative relaxation process. Careful considerations of electronic and vibrational overlap propensity rules for the ionization step lead to the conclusion that the dominant nonradiative decay mechanism in these molecules is the intersystem crossing to excited vibrational states of the T_1 state. This technique has been applied to study the predissociation process of CS_2 in the S_3 vibronic levels near 200 nm. The spectra show extensive vibrational structure, with unusual activity in the antisymmetric vibrations, indicating the possibility of level mixing in the intermediate state by the IVR couplings.

Mode-selective control of thermal Brownian vibration of micro-resonator (Generation of a thermal no-equilibrium state by mechanical feedback control)

NASA Astrophysics Data System (ADS)

Kawamura, Y.; Kanegae, R.

2017-09-01

Recently, there have been various attempts to dampen the vibration amplitude of the Brownian motion of a microresonator below the thermal vibration amplitude, with the goal of reaching the quantum ground vibration level. To further develop the approach of reaching the quantum ground state, it is essential to clarify whether or not coupling exists between the different vibration modes of the resonator. In this paper, the mode-selective control of thermal Brownian vibration is shown. The first and the second vibration modes of a micro-cantilever moved by a random Brownian motion are cooled selectively and independently below the thermal vibration amplitude, as determined by the statistical thermodynamic theory, using a mechanical feedback control method. This experimental result shows that the thermal no-equilibrium condition was generated by mechanical feedback control.

Amplified Pilot Head Vibration and the Effects of Vibration Mitigation on Neck Muscle Strain.

PubMed

Wright Beatty, Heather E; Law, Andrew J; Thomas, J Russell; Wickramasinghe, Viresh

2018-06-01

Rotary wing pilot neck strain is increasing in prevalence due to the combined effects of head supported mass (e.g., Night Vision Goggles, head mounted displays) and whole-body vibration. This study examined the physiological responses of pilots during exposure to whole-body vibration (WBV) representative of the National Research Council's Bell 412 helicopter in forward flight. WBV levels were measured and evaluated using the ISO-2631-1-1997 WBV standards. Twelve pilots (aged 20-59 yr, 7 of the 12 with 20+ years flight experience) underwent six 15-min vibration trials on a human rated shaker platform. Participants were exposed to three vibration levels (-25%, normal, and +25% amplitude; Levels 1-3, respectively) while seated on an Original Equipment Manufacturer (OEM) or vibration mitigating (MIT) cushion. Upper back and neck electromyography (EMG) and acceleration were continuously recorded. Normalized EMG amplitude was higher using the OEM compared to the MIT during Level 2 (0.18 vs. -0.27) and Level 3 (0.24 vs. -0.14) for the anterior neck muscles. Health weighted vibration amplitude at the head (Mean of 3 levels: OEM = 1.19 and MIT = 1.11 m · s-2) was larger than the vibration amplitude at the seat (Mean of 3 levels: OEM = 0.77 and MIT = 0.70 m · s-2). The amplification of head vibration relative to the seat, and the significant effects of vibration level, as well as the vibration mitigation cushion, on neck EMG amplitude support the need for revisions to the ISO-2631-1 standard to account for the head and neck response to whole-body vibration.Wright Beatty HE, Law AJ, Thomas JR, Wickramasinghe V. Amplified pilot head vibration and the effects of vibration mitigation on neck muscle strain. Aerosp Med Hum Perform. 2018; 89(6):510-519.

Quantitative prediction of collision-induced vibration-rotation distributions from physical data

NASA Astrophysics Data System (ADS)

Marsh, Richard J.; McCaffery, Anthony J.

2003-04-01

We describe a rapid, accurate technique for computing state-to-state cross-sections in collision-induced vibration-rotation transfer (VRT) using only physical data, i.e. spectroscopic constants, bond length, mass and velocity distribution. The probability of linear-to-angular momentum (AM) conversion is calculated for a set of trajectories, each of which is subjected to energy conservation boundary conditions. No mechanism is specified for inducing vibrational state change. In the model, this constitutes a velocity or momentum barrier that must be overcome before rotational AM may be generated in the new vibrational state. The method is subjected to stringent testing by calculating state-to-state VRT probabilities for diatomics in highly excited vibrational, rotational and electronic states. Comparison is made to experimental data and to results from quantum mechanical and from quasi-classical trajectory calculations. There is quantitative agreement with data from all three sources, indicating that despite its simplicity the essential physics of collisions involving highly excited species is captured in the model. We develop further the concept of the molecular efficiency factor as an indicative parameter in collision dynamics, and derive an expression for ji > 0 and for VRT.

Electric dipole moment of the diatomic tif in its higher vibrational states

NASA Astrophysics Data System (ADS)

Nair, K. P. R.; Hoeft, J.

1983-04-01

The electric dipole moment of 205Tl 19F has been measured in its higher vibrational states up to ν = 7 by studying the Statk effect in the J = O → 1 rotational transitions. The variation of the electric dipole moment with vibrational states is discussed. The electric dipole moment can be written as lμ νl = 4.1941 (15) + 0.0681(12) (ν + 1/2) D.

Optimal laser pulse design for transferring the coherent nuclear wave packet of H+2

NASA Astrophysics Data System (ADS)

Zhang, Jun; He, Guang-Qiang; He, Feng

2014-07-01

Within the Franck-Condon approximation, the single ionisation of H2 leaves H+2 in a coherent superposition of 19 nuclear vibrational states. We numerically design an optimal laser pulse train to transfer such a coherent nuclear wave packet to the ground vibrational state of H+2. Frequency analysis of the designed optimal pulse reveals that the transfer principle is mainly an anti-Stokes transition, i.e. the H+2 in 1sσg with excited nuclear vibrational states is first pumped to 2pσg state by the pulse at an appropriate time, and then dumped back to 1sσg with lower excited or ground vibrational states. The simulation results show that the population of the ground state after the transfer is more than 91%. To the best of our knowledge, this is the highest transition probability when the driving laser field is dozens of femtoseconds.

N2 states population and airglow in Titan's atmosphere

NASA Astrophysics Data System (ADS)

Lavvas, P.; Campbell, L.; Yelle, R. V.; Galand, M.; Brunger, M. J.

2013-09-01

Molecular nitrogen in Titan's atmosphere is excited to different vibrational and electronic states by direct photon absorption and electron impact. Here we present detailed calculations for the vibrational population of different electronic states and the emission rates from the de-excitation of these states.

The peculiarities of spectral manifestations of high-voltage electric discharge in different phase states of ion systems.

PubMed

Gafurov, M M; Aliev, A R; Ataev, M B; Rabadanov, K Sh

2013-10-01

The effects of high-voltage pulsed discharge (HVPD activation) on vibrational spectra of ion salt systems have been studied. The peculiarities of spectral display of HVPD in ion melts and aqueous solutions of electrolytes, in ion-conducting phases of crystalline and glassy salt systems have been investigated. After HVPD a salt system is in non-equilibrium activated state. In the activated state of a salt system, the relaxation time of the vibrational excited states of molecular ions is shorter than in the equilibrium state if the vibrational relaxation rate increases with temperature in the system. For those systems for which the relaxation rate decreases at elevated temperatures, the relaxation time of the vibrational excited states of molecular ions is longer than in the equilibrium state. HVPD activation of a salt system can change the configuration of the electron shell of molecular ions. Therefore, the lifetime values of activated state of salt systems are abnormally large. Copyright © 2013 Elsevier B.V. All rights reserved.

Key hydride vibrational modes in [NiFe] hydrogenase model compounds studied by resonance Raman spectroscopy and density functional calculations.

PubMed

Shafaat, Hannah S; Weber, Katharina; Petrenko, Taras; Neese, Frank; Lubitz, Wolfgang

2012-11-05

Hydrogenase proteins catalyze the reversible conversion of molecular hydrogen to protons and electrons. While many enzymatic states of the [NiFe] hydrogenase have been studied extensively, there are multiple catalytically relevant EPR-silent states that remain poorly characterized. Analysis of model compounds using new spectroscopic techniques can provide a framework for the study of these elusive states within the protein. We obtained optical absorption and resonance Raman (RR) spectra of (dppe)Ni(μ-pdt)Fe(CO)(3) and [(dppe)Ni(μ-pdt)(μ-H)Fe(CO)(3)][BF(4)], which are structural and functional model compounds for the EPR-silent Ni-SI and Ni-R states of the [NiFe] hydrogenase active site. The studies presented here use RR spectroscopy to probe vibrational modes of the active site, including metal-hydride stretching vibrations along with bridging ligand-metal and Fe-CO bending vibrations, with isotopic substitution used to identify key metal-hydride modes. The metal-hydride vibrations are essentially uncoupled and represent isolated, localized stretching modes; the iron-hydride vibration occurs at 1530 cm(-1), while the nickel-hydride vibration is observed at 945 cm(-1). The significant discrepancy between the metal-hydride vibrational frequencies reflects the slight asymmetry in the metal-hydride bond lengths. Additionally, time-dependent density functional theory (TD-DFT) calculations were carried out to obtain theoretical RR spectra of these compounds. On the basis of the detailed comparison of theory and experiment, the dominant electronic transitions and significant normal modes probed in the RR experiments were assigned; the primary transitions in the visible wavelengths represent metal-to-metal and metal-to-ligand charge transfer bands. Inherent properties of metal-hydride vibrational modes in resonance Raman spectra and DFT calculations are discussed together with the prospects of observing such vibrational modes in metal-hydride-containing proteins. Such a combined theoretical and experimental approach may be valuable for characterization of analogous redox states in the [NiFe] hydrogenases.

Profiling wrist pulse from skin surface by Advanced Vibrometer Interferometer Device

NASA Astrophysics Data System (ADS)

Lee, Hao-Xiang; Lee, Shu-Sheng; Hsu, Yu-Hsiang; Lee, Chih-Kung

2017-02-01

With global trends in population aging, the need to decrease and prevent the onset of cardiovascular disease has drawn a great attention. The traditional cuff-based upper arm sphygmomanometer is still the standard method to retrieve blood pressure information for diagnostics. However, this method is not easy to be adapted by patients and is not comfortable enough to perform a long term monitoring process. In order to correlate the beating profile of the arterial pulse on the wrist skin, an Advanced Vibrometer Interferometer Device (AVID) is adopted in this study to measure the vibration amplitude of skin and compare it with blood pressure measured from the upper arm. The AVID system can measure vibration and remove the directional ambiguity by using circular polarization interferometer technique with two orthogonal polarized light beams. The displacement resolution of the system is nearly 1.0 nm and the accuracy is experimentally verified. Using an optical method to quantify wrist pule, it provides a means to perform cuff-less, noninvasive and continuous measurement. In this paper, the correlations between the amplitude of skin vibration and the actual blood pressure is studied. The success of this method could potentially set the foundation of blood pressure monitor system based on optical approaches.

Observation of Vibrational Relaxation Dynamics in X(sup 3)Sigma(sup -)(sub g) Oxygen Following Stimulated Raman Excitation to the v=1 Level: Implications for the RELIEF Flow Tagging Technique

NASA Technical Reports Server (NTRS)

Diskin, Glenn S.; Lempert, Walter R.; Miles, Richard B.

1996-01-01

The vibrational relaxation of ground-state molecular oxygen (O2, X(sup 3)Sigma(sup -)(sub g)) has been observed, following stimulated Raman excitation to the first excited vibrational level (v=1). Time delayed laser-induced fluorescence probing of the ro-vibrational population distribution was used to examine the temporal relaxation behavior. In the presence of water vapor, the relaxation process is rapid, and is dominated by near-resonant vibrational energy exchange between the v=1 level of O2 and the n2 bending mode of H2O. In the absence of H2O, reequilibration proceeds via homogeneous vibrational energy transfer, in which a collision between two v=1 O2 molecules leaves one molecule in the v=2 state and the other in the v=0 state. Subsequent collisions between molecules in v=1 and v>1 result in continued transfer of population up the vibrational ladder. The implications of these results for the RELIEF flow tagging technique are discussed.

Study on vibration characteristics and fault diagnosis method of oil-immersed flat wave reactor in Arctic area converter station

NASA Astrophysics Data System (ADS)

Lai, Wenqing; Wang, Yuandong; Li, Wenpeng; Sun, Guang; Qu, Guomin; Cui, Shigang; Li, Mengke; Wang, Yongqiang

2017-10-01

Based on long term vibration monitoring of the No.2 oil-immersed fat wave reactor in the ±500kV converter station in East Mongolia, the vibration signals in normal state and in core loose fault state were saved. Through the time-frequency analysis of the signals, the vibration characteristics of the core loose fault were obtained, and a fault diagnosis method based on the dual tree complex wavelet (DT-CWT) and support vector machine (SVM) was proposed. The vibration signals were analyzed by DT-CWT, and the energy entropy of the vibration signals were taken as the feature vector; the support vector machine was used to train and test the feature vector, and the accurate identification of the core loose fault of the flat wave reactor was realized. Through the identification of many groups of normal and core loose fault state vibration signals, the diagnostic accuracy of the result reached 97.36%. The effectiveness and accuracy of the method in the fault diagnosis of the flat wave reactor core is verified.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Jiayue; Zhang, Dong; Chen, Zhen

The vibrationally excited reaction of F + CHD{sub 3}(ν{sub 1} = 1) → DF + CHD{sub 2} at a collision energy of 9.0 kcal/mol is investigated using the crossed-beams and time-sliced velocity map imaging techniques. Detailed and quantitative information of the CH stretching excitation effects on the reactivity and dynamics of the title reaction is extracted with the help of an accurate determination of the fraction of the excited CHD{sub 3} reagent in the crossed-beam region. It is found that all vibrational states of the CHD{sub 2} products observed in the ground-state reaction, which mainly involve the excitation of themore » umbrella mode of the CHD{sub 2} products, are severely suppressed by the CH stretching excitation. However, there are four additional vibrational states of the CHD{sub 2} products appearing in the excited-state reaction which are not presented in the ground-state reaction. These vibrational states either have the CH stretching excitation retained or involve one quantum excitation in the CH stretching and the excitation of the umbrella mode. Including all observed vibrational states, the overall cross section of the excited-state reaction is estimated to be 66.6% of that of the ground-state one. Experimental results also show that when the energy of CH stretching excitation is released during the reaction, it is deposited almost exclusively as the rovibrational energy of the DF products, with little portion in the translational degree of freedom. For vibrational states of the CHD{sub 2} products observed in both ground- and excited-state reactions, the CH stretching excitation greatly suppresses the forward scattered products, causing a noticeable change in the product angular distributions.« less

Unsteady Transonic Pressure Measurements on a Semi-Span Wind Tunnel Model of a Transport-Type Supercritical Wing (LANN) Lockheed-Georgia, Air Force, NASA, and NLR Model. Part 2. Pressure Distributions (PLOTTED) and Plots of the Vibration Modes.

DTIC Science & Technology

1983-03-01

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Shaping liquid drops by vibration

NASA Astrophysics Data System (ADS)

Pototsky, Andrey; Bestehorn, Michael

2018-02-01

We present and analyze a minimal hydrodynamic model of a vertically vibrated liquid drop that undergoes dynamic shape transformations. In agreement with experiments, a circular lens-shaped drop is unstable above a critical vibration amplitude, spontaneously elongating in the horizontal direction. Smaller drops elongate into localized states that oscillate with half of the vibration frequency. Larger drops evolve by transforming into a snake-like structure with gradually increasing length. The worm state is long-lasting with a potential to fragment into smaller drops.

A prospective study for upper-extremity cumulative trauma disorders of workers in aircraft manufacturing.

PubMed

Melhorn, J M

1996-12-01

Occupational diseases affect 15 to 20% of all Americans. Cumulative trauma disorders (CTDs) account for 56% of all occupational injuries. The recognition and control of occupational injuries has become a major concern of employees, employers, medicine, and the federal government because of health risk and related costs. Upper-extremity CTDs are identified by the National Institute for Occupational Safety and Health as one of the ten most significant occupational health problems in the United States. It is estimated by the year 2000 that 50 cents on the dollar will be spent on CTDs. Although enlightened aircraft employers have developed primary prevention strategies, primary prevention can never be expected to eliminate 100% of the cases. To evaluate several preventive activities, a CTD risk-assessment program was developed and implemented in cooperation with a major aircraft manufacturer employing over 8000 workers. This program was focused on objectively identifying the relationship of work and other activities to an individual worker experiencing CTDs. Early identification has been linked, when applicable, to intervention algorithms for medical care, job task modification, workplace accommodation, and training. A prospective study group of 212 workers who used rivet guns was placed into a four-way experimental design for ergonomic posture training, exercise training, and rivet-gun type (primary factors). A statistical model was developed for the level of CTD risk and evaluated using the SAS software program (SAS Institute, Inc, Carry, NC). Statistical analysis of the primary factors without regard to associated variables (covariates) demonstrated that only posture training had a beneficial risk reduction for the individual. The impact (beneficial or detrimental) for exercise training and for vibration-dampening rivet guns was probably obscured because of the large variability of the responses regarding the associated variables (covariates). When the covariates were analyzed in conjunction with the four experimental groups, a positive benefit from ergonomic posture training and exercise training was demonstrated for the following groups: the dominant han, time spend in an awkward position, number of standard rivets bucked, number of parts routed, number of parts ground, number of vibration-dampening rivets bucked, and newly hired individuals. A negative effect (increase in individual risk level) for current employees using a vibration-dampening rivet gun was demonstrated. This prospective study helps to identify the possible benefit of education and training for controlling CTDs and demonstrates the usefulness of being able to evaluate materials, methods, machines, and environments as they relate to the individual's risk level for the development of upper-extremity CTDs.

[Excitation and relaxation of metastable state NaK(1 3Pi) at high vibrational levels].

PubMed

Luan, Nan-Nan; Cai, Qin; Zhang, Li-Ping; Dai, Kang; Shen, Yi-Fan

2011-11-01

The authors have investigated collision vibrational energy transfer rate constants in NaK[1 3Pi(v)] and He system. Pump laser excitation of the spin-forbidden band was used to produce very highly vibrationally excited metastable state NaK[1 3Pi (v = 22, 21, 20)]. The probe laser was used to excite the 1 3Pi (v = 22, 21, 20) to 5 3Pi(v'). Laser induced fluorescence (LIF) from 5 3Pi --> 1 3Sigma+ transition was used to follow the collision dynamics. The semilog plots of time-resolved LIF was obtained. The slopes yielded the effective lifetimes. From such data several Stern-Volmer plots could be constructed and the relaxation rate constants could be extracted for the sum of all processes that give rise to the decay of the prepared vibrational state. The rate constants (in units of 10(-11) cm3 x s(-1)) for v being 22, 21 and 20 are 1.4 +/- 0.1, 1.2 +/- 0.1 and 1.0 +/- 0.1, respectively. The vibrational relaxation rate is increasing with vibrational quantum number. In order to determine the importance of multiquantum relaxation, it is necessary to measure the relative population of both the prepared state and collisionally populated states. By the kinetic equations governing up to Delta(v) = 2 transitions, the time dependence of populations of the vibrational states were obtained. With the help of the integrating the population equations over all time, the importance of the two-quantum relaxation could be studied experimentally. By varying the delay between the pump and the probe laser, the He pressure dependent vibrational state specific decay could be measured. The time evolutions and relative intensities of the three states v = 22, 21 and 20 by preparing v = 22 were obtained. Using experimental data the rate constants (in units of 10(-11) cm3 x s(-1)) for v = 22 --> 21 and v = 22 --> 20 are 0.67 +/- 0.15 and 0.49 +/- 0.12, respectively. The single quantum relaxation accounts for only about 48% of the total relaxation out of v = 22. Multi-quantum relaxation (Delta(v) > 1) was found to be important at high vibrational states.

Zero kinetic energy photoelectron spectroscopy of triphenylene.

PubMed

Harthcock, Colin; Zhang, Jie; Kong, Wei

2014-06-28

We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S1 of the neutral molecule is of A1' symmetry and is therefore electric dipole forbidden in the D3h group. Consequently, there are no observable Franck-Condon allowed totally symmetric a1' vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E' third electronically excited state S3. The assignment of all vibrational bands as e' symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C2v and resulting in two nearly degenerate electronic states of A2 and B1 symmetry. Here we follow a crude treatment by assuming that all e' vibrational modes resolve into b2 and a1 modes in the C2v molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63 365 ± 7 cm(-1). The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.

Ultrafast time-resolved pump-probe spectroscopy of PYP by a sub-8 fs pulse laser at 400 nm.

PubMed

Liu, Jun; Yabushita, Atsushi; Taniguchi, Seiji; Chosrowjan, Haik; Imamoto, Yasushi; Sueda, Keiichi; Miyanaga, Noriaki; Kobayashi, Takayoshi

2013-05-02

Impulsive excitation of molecular vibration is known to induce wave packets in both the ground state and excited state. Here, the ultrafast dynamics of PYP was studied by pump-probe spectroscopy using a sub-8 fs pulse laser at 400 nm. The broadband spectrum of the UV pulse allowed us to detect the pump-probe signal covering 360-440 nm. The dependence of the vibrational phase of the vibrational mode around 1155 cm(-1) on the probe photon energy was observed for the first time to our knowledge. The vibrational mode coupled to the electronic transition observed in the probe spectral ranges of 2.95-3.05 and 3.15-3.35 eV was attributed to the wave packets in the ground state and the excited state, respectively. The frequencies in the ground state and excited state were determined to be 1155 ± 1 and 1149 ± 1 cm(-1), respectively. The frequency difference is due to change after photoexcitation. This means a reduction of the bond strength associated with π-π* excitation, which is related to the molecular structure change associated with the primary isomerization process in the photocycle in PYP. Real-time vibrational modes at low frequency around 138, 179, 203, 260, and 317 cm(-1) were also observed and compared with the Raman spectrum for the assignment of the vibrational wave packet.

A High Resolution Spectroscopic Study of the Nu2 Band of Hydrogen Sulfide and the 1-0 Band of Hydrogen Iodide. Ph.D. Thesis - Maryland Univ.

NASA Technical Reports Server (NTRS)

Strow, L. L.

1981-01-01

A tunable diode laser spectrometer was constructed and used to study: (1) the effects of centrifugal distortion on the transition frequencies and strengths of the nu sub 2 band of H2S, and (2) nuclear quadrupole hyperfine structure in the 1-0 band of HI. A total of 126 line frequencies and 94 line strengths in the nu sub 2 band of H2S were measured. The average accuracy of the line frequency measurements was + or - 0.0016 cm. The line strengths were measured to an average accuracy of about 3 percent. The effect of the finite spectral width of the diode laser on the measurement of line strengths is discussed. The observed H2S line frequencies were fit to Watson's AS and NS reduced Hamiltonian in both the Ir and IIIr coordinate representations in order to determine the best set of rotation distortion constants for the upper state of the nu sub 2 band. Comparisons of the observed line strengths in this band to rigid rotor line strengths are also presented. Nuclear quadrupole hyperfine structure in the low J lines of the 1-0 band of HI was observed. The upper vibrational state nuclear quadrupole coupling constant, determined from the observed splittings, was -1850 MHz + or - 12 MHz or 1.2 percent + or - 0.7 percent larger than the ground state coupling constant.

Proposal to use vibration analysis steering components and car body to monitor, for example, the state of unbalance wheel

NASA Astrophysics Data System (ADS)

Janczur, R.

2016-09-01

The results of road tests of car VW Passat equipped with tires of size 195/65 R15, on the influence of the unbalancing front wheel on vibration of the parts of steering system, steering wheel and the body of the vehicle have been presented in this paper. Unbalances wheels made using weights of different masses, placed close to the outer edge of the steel rim and checked on the machine Hunter GSP 9700 for balancing wheels. The recorded waveforms vibration steering components and car body, at different constant driving speeds, subjected to spectral analysis to determine the possibility of isolating vibration caused by unbalanced wheel in various states and coming from good quality asphalt road surface. The results were discussed in terms of the possibility of identifying the state of unbalancing wheels and possible changes in radial stiffness of the tire vibration transmitted through the system driving wheel on the steering wheel. Vibration analysis steering components and car body, also in the longitudinal direction, including information from the CAN bus of the state of motion of the car, can be used to monitor the development of the state of unbalance wheel, tire damage or errors shape of brake discs or brake drums, causing pulsations braking forces.

Bubbling behavior of a fluidized bed of fine particles caused by vibration-induced air inflow.

PubMed

Matsusaka, Shuji; Kobayakawa, Murino; Mizutani, Megumi; Imran, Mohd; Yasuda, Masatoshi

2013-01-01

We demonstrate that a vibration-induced air inflow can cause vigorous bubbling in a bed of fine particles and report the mechanism by which this phenomenon occurs. When convective flow occurs in a powder bed as a result of vibrations, the upper powder layer with a high void ratio moves downward and is compressed. This process forces the air in the powder layer out, which leads to the formation of bubbles that rise and eventually burst at the top surface of the powder bed. A negative pressure is created below the rising bubbles. A narrow opening at the bottom allows the outside air to flow into the powder bed, which produces a vigorously bubbling fluidized bed that does not require the use of an external air supply system.

Laser-induced vibration of a thin soap film.

PubMed

Emile, Olivier; Emile, Janine

2014-09-21

We report on the vibration of a thin soap film based on the optical radiation pressure force. The modulated low power laser induces a counter gravity flow in a vertical free-standing draining film. The thickness of the soap film is then higher in the upper region than in the lower region of the film. Moreover, the lifetime of the film is dramatically increased by a factor of 2. Since the laser beam only acts mechanically on the film interfaces, such a film can be employed in an optofluidic diaphragm pump, the interfaces behaving like a vibrating membrane and the liquid in-between being the fluid to be pumped. Such a pump could then be used in delicate micro-equipment, in chips where temperature variations are detrimental and even in biological systems.

Direct observation of vibrational energy dispersal via methyl torsions.

PubMed

Gardner, Adrian M; Tuttle, William D; Whalley, Laura E; Wright, Timothy G

2018-02-28

Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported. A set of coupled zero-order vibration/vibration-torsion (vibtor) levels in the S 1 state of para -fluorotoluene ( p FT) are investigated. Two-dimensional laser-induced fluorescence (2D-LIF) and two-dimensional zero-kinetic-energy (2D-ZEKE) spectra are reported, and the assignment of the main features in both sets of spectra reveals that the methyl torsion is instrumental in providing a route for coupling between vibrational levels of different symmetry classes. We find that there is very localized, and selective, dissipation of energy via doorway states, and that, in addition to an increase in the density of states, a critical role of the methyl group is a relaxation of symmetry constraints compared to direct vibrational coupling.

Monte Carlo wave packet study of negative ion mediated vibrationally inelastic scattering of NO from the metal surface

NASA Astrophysics Data System (ADS)

Li, Shenmin; Guo, Hua

2002-09-01

The scattering dynamics of vibrationally excited NO from a metal surface is investigated theoretically using a dissipative model that includes both the neutral and negative ion states. The Liouville-von Neumann equation is solved numerically by a Monte Carlo wave packet method, in which the wave packet is allowed to "jump" between the neutral and negative ion states in a stochastic fashion. It is shown that the temporary population of the negative ion state results in significant changes in vibrational dynamics, which eventually lead to vibrationally inelastic scattering of NO. Reasonable agreement with experiment is obtained with empirical potential energy surfaces. In particular, the experimentally observed facile multiquantum relaxation of the vibrationally highly excited NO is reproduced. The simulation also provides interesting insight into the scattering dynamics.

The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine.

PubMed

Trachsel, Maria A; Wiedmer, Timo; Blaser, Susan; Frey, Hans-Martin; Li, Quansong; Ruiz-Barragan, Sergi; Blancafort, Lluís; Leutwyler, Samuel

2016-10-07

We have investigated the S 0 → S 1 UV vibronic spectrum and time-resolved S 1 state dynamics of jet-cooled amino-keto 1-methylcytosine (1MCyt) using two-color resonant two-photon ionization, UV/UV holeburning and depletion spectroscopies, as well as nanosecond and picosecond time-resolved pump/delayed ionization measurements. The experimental study is complemented with spin-component-scaled second-order coupled-cluster and multistate complete active space second order perturbation ab initio calculations. Above the weak electronic origin of 1MCyt at 31 852 cm -1 about 20 intense vibronic bands are observed. These are interpreted as methyl group torsional transitions coupled to out-of-plane ring vibrations, in agreement with the methyl group rotation and out-of-plane distortions upon 1 ππ ∗ excitation predicted by the calculations. The methyl torsion and ν 1 ' (butterfly) vibrations are strongly coupled, in the S 1 state. The S 0 → S 1 vibronic spectrum breaks off at a vibrational excess energy E exc ∼ 500 cm -1 , indicating that a barrier in front of the ethylene-type S 1 ⇝S 0 conical intersection is exceeded, which is calculated to lie at E exc = 366 cm -1 . The S 1 ⇝S 0 internal conversion rate constant increases from k IC = 2 ⋅ 10 9 s -1 near the S 1 (v = 0) level to 1 ⋅ 10 11 s -1 at E exc = 516 cm -1 . The 1 ππ ∗ state of 1MCyt also relaxes into the lower-lying triplet T 1 ( 3 ππ ∗ ) state by intersystem crossing (ISC); the calculated spin-orbit coupling (SOC) value is 2.4 cm -1 . The ISC rate constant is 10-100 times lower than k IC ; it increases from k ISC = 2 ⋅ 10 8 s -1 near S 1 (v = 0) to k ISC = 2 ⋅ 10 9 s -1 at E exc = 516 cm -1 . The T 1 state energy is determined from the onset of the time-delayed photoionization efficiency curve as 25 600 ± 500 cm -1 . The T 2 ( 3 nπ ∗ ) state lies >1500 cm -1 above S 1 (v = 0), so S 1 ⇝T 2 ISC cannot occur, despite the large SOC parameter of 10.6 cm -1 . An upper limit to the adiabatic ionization energy of 1MCyt is determined as 8.41 ± 0.02 eV. Compared to cytosine, methyl substitution at N1 lowers the adiabatic ionization energy by ≥0.32 eV and leads to a much higher density of vibronic bands in the S 0 → S 1 spectrum. The effect of methylation on the radiationless decay to S 0 and ISC to T 1 is small, as shown by the similar break-off of the spectrum and the similar computed mechanisms.

The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine

NASA Astrophysics Data System (ADS)

Trachsel, Maria A.; Wiedmer, Timo; Blaser, Susan; Frey, Hans-Martin; Li, Quansong; Ruiz-Barragan, Sergi; Blancafort, Lluís; Leutwyler, Samuel

2016-10-01

We have investigated the S0 → S1 UV vibronic spectrum and time-resolved S1 state dynamics of jet-cooled amino-keto 1-methylcytosine (1MCyt) using two-color resonant two-photon ionization, UV/UV holeburning and depletion spectroscopies, as well as nanosecond and picosecond time-resolved pump/delayed ionization measurements. The experimental study is complemented with spin-component-scaled second-order coupled-cluster and multistate complete active space second order perturbation ab initio calculations. Above the weak electronic origin of 1MCyt at 31 852 cm-1 about 20 intense vibronic bands are observed. These are interpreted as methyl group torsional transitions coupled to out-of-plane ring vibrations, in agreement with the methyl group rotation and out-of-plane distortions upon 1ππ∗ excitation predicted by the calculations. The methyl torsion and ν1 ' (butterfly) vibrations are strongly coupled, in the S1 state. The S0 → S1 vibronic spectrum breaks off at a vibrational excess energy Eexc ˜ 500 cm-1, indicating that a barrier in front of the ethylene-type S1⇝S0 conical intersection is exceeded, which is calculated to lie at Eexc = 366 cm-1. The S1⇝S0 internal conversion rate constant increases from kIC = 2 ṡ 109 s-1 near the S1(v = 0) level to 1 ṡ 1011 s-1 at Eexc = 516 cm-1. The 1ππ∗ state of 1MCyt also relaxes into the lower-lying triplet T1 (3ππ∗) state by intersystem crossing (ISC); the calculated spin-orbit coupling (SOC) value is 2.4 cm-1. The ISC rate constant is 10-100 times lower than kIC; it increases from kISC = 2 ṡ 108 s-1 near S1(v = 0) to kISC = 2 ṡ 109 s-1 at Eexc = 516 cm-1. The T1 state energy is determined from the onset of the time-delayed photoionization efficiency curve as 25 600 ± 500 cm-1. The T2 (3nπ∗) state lies >1500 cm-1 above S1(v = 0), so S1⇝T2 ISC cannot occur, despite the large SOC parameter of 10.6 cm-1. An upper limit to the adiabatic ionization energy of 1MCyt is determined as 8.41 ± 0.02 eV. Compared to cytosine, methyl substitution at N1 lowers the adiabatic ionization energy by ≥0.32 eV and leads to a much higher density of vibronic bands in the S0 → S1 spectrum. The effect of methylation on the radiationless decay to S0 and ISC to T1 is small, as shown by the similar break-off of the spectrum and the similar computed mechanisms.

How exciton-vibrational coherences control charge separation in the photosystem II reaction center.

PubMed

Novoderezhkin, Vladimir I; Romero, Elisabet; van Grondelle, Rienk

2015-12-14

In photosynthesis absorbed sun light produces collective excitations (excitons) that form a coherent superposition of electronic and vibrational states of the individual pigments. Two-dimensional (2D) electronic spectroscopy allows a visualization of how these coherences are involved in the primary processes of energy and charge transfer. Based on quantitative modeling we identify the exciton-vibrational coherences observed in 2D photon echo of the photosystem II reaction center (PSII-RC). We find that the vibrations resonant with the exciton splittings can modify the delocalization of the exciton states and produce additional states, thus promoting directed energy transfer and allowing a switch between the two charge separation pathways. We conclude that the coincidence of the frequencies of the most intense vibrations with the splittings within the manifold of exciton and charge-transfer states in the PSII-RC is not occurring by chance, but reflects a fundamental principle of how energy conversion in photosynthesis was optimized.

Invisible Electronic States and Their Dynamics Revealed by Perturbations

NASA Astrophysics Data System (ADS)

Merer, Anthony J.

2011-06-01

Sooner or later everyone working in the field of spectroscopy encounters perturbations. These can range in size from a small shift of a single rotational level to total destruction of the vibrational and rotational patterns of an electronic state. To some workers perturbations are a source of terror, but to others they are the most fascinating features of molecular spectra, because they give information about molecular dynamics, and about states that would otherwise be invisible as a result of unfavorable selection rules. An example of the latter is the essentially complete characterization of the tilde{b}^3A_2 state of SO_2 from the vibronic perturbations it causes in the tilde{a}^3B_1 state. The S_1-trans state of acetylene is a beautiful example of dynamics in action. The level patterns of the three bending vibrations change dramatically with increasing vibrational excitation as a result of the vibrational angular momentum and the approach to the isomerization barrier. Several vibrational levels of the S_1-cis isomer, previously thought to be unobservable, can now be assigned. They obtain their intensity through interactions with nearby levels of the trans isomer.

Vibrations that live long and prosper

NASA Astrophysics Data System (ADS)

Utz, Arthur L.

2018-06-01

Molecular vibrations can be highly effective promoters of gas-phase chemistry. Now, measurements show that excited vibrational states can survive on metal surfaces far longer than expected — reshaping our understanding of how vibrational excitation might also promote or modify heterogeneously catalysed chemistry on metals.

High-frequency, low-intensity vibrations increase bone mass and muscle strength in upper limbs, improving autonomy in disabled children.

PubMed

Reyes, M Loreto; Hernández, Marta; Holmgren, Luz J; Sanhueza, Enrique; Escobar, Raúl G

2011-08-01

Disuse osteoporosis in children is a progressive disease that can affect quality of life. High-frequency, low-magnitude vibration (HFLMV) acts as an anabolic signal for bone and muscle. We undertook a prospective, randomized, double-blind, placebo-controlled clinical trial to assess the efficacy and safety of regional HFLMV in disabled children. Sixty-five children 6 to 9 year of age were randomized into three groups: placebo, 60 Hz, and 90 Hz. In the two active groups, a 0.3-g mechanical vibration was delivered to the radii and femurs for 5 minutes each day. After 6 months, the main endpoint was bone mineral density (BMD) at the ultradistal radius (UDR), 33% radii (33%R), and femoral necks (FN). Secondary endpoints were area and bone mineral content (BMC) at the UDR, 33%R, and FN; grip force of the upper and lower limbs; motor function; and PedsQL evaluation. An intention-to-treat analysis was used. Fifty-seven children (88%) completed the protocol. A significant increase was observed in the 60-Hz group relative to the other groups in BMD at the UDR (p = .011), in grip force of the upper limbs (p = .035), and in the "daily activities item" (p = .035). A mixed model to evaluate the response to intervention showed a stronger effect of 60 Hz on patients with cerebral palsy on the UDR and that between-subject variability significantly affected the response. There were no reported side effects of the intervention. This work provides evidence that regional HFLMV is an effective and safe strategy to improve bone mass, muscle strength, and possibly independence in children with motor disabilities. Copyright © 2011 American Society for Bone and Mineral Research.

Non-equilibrium plasma kinetics of reacting CO: an improved state to state approach

NASA Astrophysics Data System (ADS)

Pietanza, L. D.; Colonna, G.; Capitelli, M.

2017-12-01

Non-equilibrium plasma kinetics of reacting CO for conditions typically met in microwave discharges have been developed based on the coupling of excited state kinetics and the Boltzmann equation for the electron energy distribution function (EEDF). Particular attention is given to the insertion in the vibrational kinetics of a complete set of electron molecule resonant processes linking the whole vibrational ladder of the CO molecule, as well as to the role of Boudouard reaction, i.e. the process of forming CO2 by two vibrationally excited CO molecules, in shaping the vibrational distribution of CO and promoting reaction channels assisted by vibrational excitation (pure vibrational mechanisms, PVM). PVM mechanisms can become competitive with electron impact dissociation processes (DEM) in the activation of CO. A case study reproducing the conditions of a microwave discharge has been considered following the coupled kinetics also in the post discharge conditions. Results include the evolution of EEDF in discharge and post discharge conditions highlighting the role of superelastic vibrational and electronic collisions in shaping the EEDF. Moreover, PVM rate coefficients and DEM ones are studied as a function of gas temperature, showing a non-Arrhenius behavior, i.e. the rate coefficients increase with decreasing gas temperature as a result of a vibrational-vibrational (V-V) pumping up mechanism able to form plateaux in the vibrational distribution function. The accuracy of the results is discussed in particular in connection to the present knowledge of the activation energy of the Boudouard process.

Characteristics of vibrator use by gay and bisexually identified men in the United States.

PubMed

Reece, Michael; Rosenberger, Joshua G; Schick, Vanessa; Herbenick, Debby; Dodge, Brian; Novak, David S

2010-10-01

Recent reports indicate that vibrator use during solo and partnered sexual activities is common among heterosexual men and women in the United States. However, little research has comprehensively assessed vibrator use among gay and bisexually identified men. This study sought to document the extent to which gay and bisexually identified men report using vibrators, the sexual and relational situations within which they use them, and how men use vibrators on their own and their partners' bodies. Data were collected from 25,294 gay and bisexually identified men from 50 U.S. states and from the District of Columbia via an internet-based survey. Measures included sociodemographics, health-related indicators, sexual behaviors, and those related to recent and past use of vibrators during solo and partnered sexual interactions with other men. Approximately half (49.8%) of gay and bisexually identified men reported having used vibrators. Most men who had used a vibrator in the past reported use during masturbation (86.2%). When used during partnered interactions, vibrators were incorporated into foreplay (65.9%) and intercourse (59.4%). Men reported frequent insertion of vibrators into the anus or rectum when using them during masturbation (87.3%), which was also common during partnered interactions (∼60%), but varied slightly for casual and relationship sex partners. For both masturbation and partnered interactions, men overwhelmingly endorsed the extent to which vibrator use contributed to sexual arousal, orgasm, and pleasure. Vibrator use during both solo and partnered sexual acts was common among the gay and bisexually identified men in this sample and was described by men as adding to the quality of their sexual experiences. © 2010 International Society for Sexual Medicine.

Quantum Scattering Study of Ro-Vibrational Excitations in N+N(sub 2) Collisions under Re-entry Conditions

NASA Technical Reports Server (NTRS)

Wang, Dunyou; Stallcop, James R.; Dateo, Christopher E.; Schwenke, David W.; Huo, Winifred M.

2004-01-01

A three-dimensional time-dependent quantum dynamics approach using a recently developed ab initio potential energy surface is applied to study ro-vibrational excitation in N+N2 exchange scattering for collision energies in the range 2.1- 3.2 eV. State-to-state integral exchange cross sections are examined to determine the distribution of excited rotational states of N(sub 2). The results demonstrate that highly-excited rotational states are produced by exchange scattering and furthermore, that the maximum value of (Delta)j increases rapidly with increasing collision energies. Integral exchange cross sections and exchange rate constants for excitation to the lower (upsilon = 0-3) vibrational energy levels are presented as a function of the collision energy. Excited-vibrational-state distributions for temperatures at 2,000 K and 10,000 K are included.

Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 → H2 + CD3

NASA Astrophysics Data System (ADS)

Ellerbrock, Roman; Manthe, Uwe

2017-12-01

Quantum state-resolved reaction probabilities for the H + CHD3 → H2 + CD3 reaction are calculated by accurate full-dimensional quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree approach and the quantum transition state concept. Reaction probabilities of various ro-vibrational states of the CHD3 reactant are investigated for vanishing total angular momentum. While the reactivity of the different vibrational states of CHD3 mostly follows intuitive patterns, an unusually large reaction probability is found for CHD3 molecules triply excited in the CD3 umbrella-bending vibration. This surprising reactivity can be explained by a Fermi resonance-type mixing of the single CH-stretch excited and the triple CD3 umbrella-bend excited vibrational states of CHD3. These findings show that resonant energy transfer can significantly affect the mode-selective chemistry of CHD3 and result in counter-intuitive reactivity patterns.

Vibrational energy flow controls internal conversion in a transition metal complex.

PubMed

Hedley, Gordon J; Ruseckas, Arvydas; Samuel, Ifor D W

2010-09-02

Internal conversion (IC) between excited electronic states is a fundamental photophysical process that is important for understanding protection from UV radiation, energy transfer pathways and electron injection in artificial photosynthetic systems and organic solar cells. We have studied IC between three singlet MLCT states in an iridium complex using femtosecond fluorescence spectroscopy. Very fast IC with a time constant of <20 fs is observed from the highest state and a much slower relaxation to the lowest energy singlet state on a 70 fs time scale. The abrupt slowdown of the relaxation rate occurs when there is >0.6 eV of vibrational energy stored in the complex that has to be dissipated by intramolecular vibrational redistribution before further IC to the lower energy states can occur. These results show that the ability to dissipate vibrational energy can control the relaxation process in this class of materials.

Ultrafast dynamics of multi-exciton state coupled to coherent vibration in zinc chlorin aggregates for artificial photosynthesis.

PubMed

Shi, Tongchao; Liu, Zhengzheng; Miyatake, Tomohiro; Tamiaki, Hitoshi; Kobayashi, Takayoshi; Zhang, Zeyu; Du, Juan; Leng, Yuxin

2017-11-27

Ultrafast vibronic dynamics induced by the interaction of the Frenkel exciton with the coherent molecular vibrations in a layer-structured zinc chlorin aggregates prepared for artificial photosynthesis have been studied by 7.1 fs real-time vibrational spectroscopy with multi-spectrum detection. The fast decay of 100 ± 5fs is ascribed to the relaxation from the higher multi-exciton state (MES) to the one-exciton state, and the slow one of 863 ± 70fs is assigned to the relaxation from Q-exciton state to the dark nonfluorescent charge-transfer (CT) state, respectively. In addition, the wavelength dependences of the exciton-vibration coupling strength are found to follow the zeroth derivative of the transient absorption spectra of the exciton. It could be explained in term of the transition dipole moment modulated by dynamic intensity borrowing between the B transition and the Q transition through the vibronic interactions.

Vibrational dynamics of aniline (N2)1 clusters in their first excited singlet state

NASA Astrophysics Data System (ADS)

Hineman, M. F.; Kim, S. K.; Bernstein, E. R.; Kelley, D. F.

1992-04-01

The first excited singlet state S1 vibrational dynamics of aniline(N2)1 clusters are studied and compared to previous results on aniline(CH4)1 and aniline(Ar)1. Intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) rates fall between the two extremes of the CH4 (fast IVR, slow VP) and Ar (slow IVR, fast VP) cluster results as is predicted by a serial IVR/VP model using Fermi's golden rule to describe IVR processes and a restricted Rice-Ramsperger-Kassel-Marcus (RRKM) theory to describe unimolecular VP rates. The density of states is the most important factor determining the rates. Two product states, 00 and 10b1, of bare aniline and one intermediate state ˜(00) in the overall IVR/VP process are observed and time resolved measurements are obtained for the 000 and ˜(000) transitions. The results are modeled with the serial mechanism described above.

Jet-cooled laser-induced dispersed fluorescence spectroscopy of TaN: Observation of a3Δ and A1Δ states

NASA Astrophysics Data System (ADS)

Mukund, Sheo; Bhattacharyya, Soumen; Nakhate, S. G.

2016-07-01

Laser-induced dispersed fluorescence spectra of TaN molecules, produced in a free-jet apparatus, have been studied. Two spin components of the lowest-lying a3Δ state along with their vibrational structure have been observed. The A1Δ state, which was predicted earlier by ab initio calculation has also been observed. The X1Σ+ ground state vibrational progression up to v = 9 has been recorded. The experimentally determined term energies and vibrational constants at equilibrium for the ground and a3Δ states are in fairly good agreement with the ab initio values reported earlier.

The vibrational Jahn-Teller effect in E⊗e systems

NASA Astrophysics Data System (ADS)

Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S.

2015-10-01

The Jahn-Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH3CN and Cr(C6H6)(CO)3, the global minimum of the non-degenerate electronic potential energy surface occurs at the C3v geometry, but in CH3OH, the equilibrium geometry is far from the C3v reference geometry. In the former cases, the computed spontaneous Jahn-Teller distortion is exceptionally small. In methanol, the vibrational Jahn-Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν2 and ν9 vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn-Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH3OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.

[The health condition of forest workers exposed to noise and vibration produced by chain saws].

PubMed

Malinowska-Borowska, Jolanta; Socholik, Violetta; Harazin, Barbara

2012-01-01

Lumberjacks' working conditions are difficult due to the presence of numerous occupational hazards. Physical factors that pose a health risk are noise and vibration produced by chain saws. Excessive exposure of lumberjacks to noise and vibration can lead to the development of hand-arm vibration syndrome and hearing loss. The aim of the work was to analyze the health condition of forestry workers exposed to occupational physical hazards. A preliminary, questionnaire-based assessment of health status was conducted in 22 chain saw operators. In a group of 15 forestry workers audiometry, vibrotactile perception thresholds and cold provocation test were performed. X-ray diagnostic imaging of upper limbs was also done. At the same time noise and vibration produced by chain saws used in forestry was measured. Vascular or neurological disorders were found in nearly half of tested workers with seniority from 2 to 20 years; 40% of the surveyed was diagnosed with hearing impairment. An 8-hour energy equivalent vibration level measured on chain saws was 4.6 m/s2. An 8-hour equivalent sound pressure level was 99.1 dB(A). The threshold limit values for noise and vibration are exceeded at woodcutters' posts. There are changes in lumberjacks' health resulting from exposure to harmful physical agents. Preventive actions are urgently needed to be addressed, especially to people employed in single-handed forestry companies.

Effects of wrist tendon vibration on arm tracking in people poststroke.

PubMed

Conrad, Megan O; Scheidt, Robert A; Schmit, Brian D

2011-09-01

The goal of this study was to evaluate the influence of wrist tendon vibration on a multijoint elbow/shoulder tracking task. We hypothesized that tendon vibration applied at the wrist musculature would improve upper arm tracking performance in chronic stroke survivors through increased, Ia-afferent feedback to the central nervous system (CNS). To test this hypothesis, 10 chronic stroke and 5 neurologically intact subjects grasped the handle of a planar robot as they tracked a target through a horizontal figure-8 pattern. A total of 36 trials were completed by each subject. During the middle trials, 70-Hz tendon vibration was applied at the wrist flexor tendons. Position, velocity, and electromyography data were evaluated to compare the quality of arm movements before, during, and after trials with concurrent vibration. Despite tracking a target that moved at a constant velocity, hand trajectories appeared to be segmented, displaying alternating intervals of acceleration and deceleration. Segments were identifiable in tangential velocity data as single-peaked, bell-shaped speed pulses. When tendon vibration was applied at the wrist musculature, stroke subjects experienced improved tracking performance in that hand path lengths and peak speed variability decreased, whereas movement smoothness increased. These performance improvements were accompanied by decreases in the muscle activity during movement. Possible mechanisms behind improved movement control in response to tendon vibration may include improved sensorimotor integration or improved cortical modulation of spinal reflex activity.

Effects of wrist tendon vibration on arm tracking in people poststroke

PubMed Central

Conrad, Megan O.; Scheidt, Robert A.

2011-01-01

The goal of this study was to evaluate the influence of wrist tendon vibration on a multijoint elbow/shoulder tracking task. We hypothesized that tendon vibration applied at the wrist musculature would improve upper arm tracking performance in chronic stroke survivors through increased, Ia-afferent feedback to the central nervous system (CNS). To test this hypothesis, 10 chronic stroke and 5 neurologically intact subjects grasped the handle of a planar robot as they tracked a target through a horizontal figure-8 pattern. A total of 36 trials were completed by each subject. During the middle trials, 70-Hz tendon vibration was applied at the wrist flexor tendons. Position, velocity, and electromyography data were evaluated to compare the quality of arm movements before, during, and after trials with concurrent vibration. Despite tracking a target that moved at a constant velocity, hand trajectories appeared to be segmented, displaying alternating intervals of acceleration and deceleration. Segments were identifiable in tangential velocity data as single-peaked, bell-shaped speed pulses. When tendon vibration was applied at the wrist musculature, stroke subjects experienced improved tracking performance in that hand path lengths and peak speed variability decreased, whereas movement smoothness increased. These performance improvements were accompanied by decreases in the muscle activity during movement. Possible mechanisms behind improved movement control in response to tendon vibration may include improved sensorimotor integration or improved cortical modulation of spinal reflex activity. PMID:21697444

Study of vibrations produced by a vibrating beam used for vibrating concretes. [and their transmission to human operator

NASA Technical Reports Server (NTRS)

Silas, C.; Brindeu, L.; Grosanu, I.; Cioara, T.

1974-01-01

For compacting concretes in building, vibrating beams are used. The vibrations are generated by inertial vibrators, and the beam is normally displaced by the operator by means of a handle that is elastically fastened to the beam by means of rubber pads. Considered are vibrations transmitted to the operator, taking into account the beam's shock vibration motions. The steady state motion of a dynamic beam pattern is studied, and results of experimental tests with existing equipment are presented.

Millimeter-wave spectroscopy of hydantoin, a possible precursor of glycine

NASA Astrophysics Data System (ADS)

Ozeki, Hiroyuki; Miyahara, Rio; Ihara, Hiroto; Todaka, Satoshi; Kobayashi, Kaori; Ohishi, Masatoshi

2017-04-01

Context. Hydantoin (Imidazolidine-2, 4-dione, C3H4N2O2) is a five-membered heterocyclic compound that is known to arise from prebiotic molecules such as glycolic acid and urea, and to give the simplest amino acid, glycine, by hydrolysis under acidic condition. The gas chromatography combined with the mass spectrometry of carbonaceous chondrites lead to the detection of this molecule as well as several kinds of amino acids. Aims: The lack of spectroscopic information, especially on the rotational constants, has prevented us from conducting a search for hydantoin in interstellar space. If a rotational temperature of 100 K is assumed as the kinetic temperature of a star-forming region, the spectral intensity is expected to be at its maximum in the millimeter-wave region. Laboratory spectroscopy of hydantoin in the millimeter-wave region is the most important in providing accurate rest frequencies to be used for astronomical research. Methods: Pure rotational spectra of hydantoin were observed in the millimeter-wave region using the frequency modulated microwave spectrometer at Toho University. Solid hydantoin was heated to around 150 °C to provide appropriate vapor pressure. Quantum chemical calculations suggest that the permanent dipole moment of this molecule lies almost along the b-molecular axis, so that spectral search for b-type R-branch transition has been conducted. Results: Rotational and centrifugal distortion constants up to the fourth order for the ground vibrational state of hydantoin were accurately determined by measuring 161 b-type transitions in the frequency range between 90 and 370 GHz. In addition, we succeeded in assigning 230 satellite lines, which were attributed to the two vibrationally excited states. The spectral intensity ratio of these lines indicates that these states correspond to the low-lying (approximately 150 cm-1 above the ground state) vibrational modes. Conclusions: The frequency catalog of hydantoin in the millimeter-wave range was created for the ground state and for the two low-lying excited states, and are ideal for a future astronomical research. The 1σ frequency accuracy is lower than 100 kHz for the lines with upper-state energy below 200 cm-1, corresponding to a velocity resolution of 0.1 km s-1 at 300 GHz The spectral line list of hydantoin is available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/600/A44

The apparent mass and mechanical impedance of the hand and the transmission of vibration to the fingers, hand, and arm

NASA Astrophysics Data System (ADS)

Concettoni, Enrico; Griffin, Michael

2009-08-01

Although hand-transmitted vibration causes injury and disease, most often evident in the fingers, the biodynamic responses of the fingers, hand, and arm are not yet well understood. A method of investigating the motion of the entire finger-hand-arm system, based on the simultaneous measurement of the biodynamic response at the driving point and the transmissibility to many points on the finger-hand-arm system, is illustrated. Fourteen male subjects participated in an experiment in which they pushed down on a vertically vibrating metal plate with their right forearm pronated and their elbow bent at 90°. The apparent mass and mechanical impedance of the finger-hand-arm system were measured for each of seven different contact conditions between the plate and the fingers and hand. Simultaneously, the vibration of the fingers, hand, and arm was measured at 41 locations using a scanning laser Doppler vibrometer. Transmissibilities showed how the vibration was transmitted along the arm and allowed the construction of spectral operating deflection shapes showing the vibration pattern of the fingers, hand, and arm for each of the seven contact conditions. The vibration patterns at critical frequencies for each contact condition have been used to explain features in the driving point biodynamic responses and the vibration behaviour of the hand-arm system. Spectral operating deflection shapes for the upper limb assist the interpretation of driving point biodynamic responses and help to advance understanding required to predict, explain, and control the various effects of hand-transmitted vibration.

Surface-Enhanced Impulsive Coherent Vibrational Spectroscopy

PubMed Central

Du, Juan; Harra, Juha; Virkki, Matti; Mäkelä, Jyrki M.; Leng, Yuxin; Kauranen, Martti; Kobayashi, Takayoshi

2016-01-01

Surface-enhanced Raman spectroscopy (SERS) has attracted a lot of attention in molecular sensing because of the remarkable ability of plasmonic metal nanostructures to enhance the weak Raman scattering process. On the other hand, coherent vibrational spectroscopy triggered by impulsive excitation using ultrafast laser pulses provides complete information about the temporal evolution of molecular vibrations, allowing dynamical processes in molecular systems to be followed in “real time”. Here, we combine these two concepts and demonstrate surface-enhanced impulsive vibrational spectroscopy. The vibrational modes of the ground and excited states of poly[2-methoxy-5-(2-ethylhexyloxy)−1,4-phenylenevinylene] (MEH-PPV), spin-coated on a substrate covered with monodisperse silver nanoparticles, are impulsively excited with a sub-10 fs pump pulse and characterized with a delayed broad-band probe pulse. The maximum enhancement in the spectrally and temporally resolved vibrational signatures averaged over the whole sample is about 4.6, while the real-time information about the instantaneous vibrational amplitude together with the initial vibrational phase is preserved. The phase is essential to determine the vibrational contributions from the ground and excited states. PMID:27812020

Vibrational energy flow in photoactive yellow protein revealed by infrared pump-visible probe spectroscopy.

PubMed

Nakamura, Ryosuke; Hamada, Norio

2015-05-14

Vibrational energy flow in the electronic ground state of photoactive yellow protein (PYP) is studied by ultrafast infrared (IR) pump-visible probe spectroscopy. Vibrational modes of the chromophore and the surrounding protein are excited with a femtosecond IR pump pulse, and the subsequent vibrational dynamics in the chromophore are selectively probed with a visible probe pulse through changes in the absorption spectrum of the chromophore. We thus obtain the vibrational energy flow with four characteristic time constants. The vibrational excitation with an IR pulse at 1340, 1420, 1500, or 1670 cm(-1) results in ultrafast intramolecular vibrational redistribution (IVR) with a time constant of 0.2 ps. The vibrational modes excited through the IVR process relax to the initial ground state with a time constant of 6-8 ps in parallel with vibrational cooling with a time constant of 14 ps. In addition, upon excitation with an IR pulse at 1670 cm(-1), we observe the energy flow from the protein backbone to the chromophore that occurs with a time constant of 4.2 ps.

Change in resonance parameters of a linear molecule as it bends: Evidence in electron-impact vibrational transitions of hot COS and CO2 molecules*

NASA Astrophysics Data System (ADS)

Hoshino, Masamitsu; Ishijima, Yohei; Kato, Hidetoshi; Mogi, Daisuke; Takahashi, Yoshinao; Fukae, Katsuya; Limão-Vieira, Paulo; Tanaka, Hiroshi; Shimamura, Isao

2016-04-01

Inelastic and superelastic electron-impact vibrational excitation functions of hot carbonyl sulphide COS (and hot CO2) are measured for electron energies from 0.5 to 3.0 eV (1.5 to 6.0 eV) and at a scattering angle of 90°. Based on the vibrational populations and the principle of detailed balance, these excitation functions are decomposed into contributions from state-to-state vibrational transitions involving up to the second bending overtone (030) in the electronically ground state. Both the 2Π resonance for COS around 1.2 eV and the 2Πu resonance for CO2 around 3.8 eV are shifted to lower energies as the initial vibrational state is excited in the bending mode. The width of the resonance hump for COS changes only little as the molecule bends, whereas that of the overall boomerang resonance for CO2 becomes narrower. The angular distribution of the electrons resonantly scattered by hot COS and hot CO2 is also measured. The different shapes depending on the vibrational transitions and gas temperatures are discussed in terms of the symmetry of the vibrational wave functions. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

Vibrational energy transfer dynamics in ruthenium polypyridine transition metal complexes.

PubMed

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.

The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions.

PubMed

Kurnosov, Alexander; Cacciatore, Mario; Laganà, Antonio; Pirani, Fernando; Bartolomei, Massimiliano; Garcia, Ernesto

2014-04-05

The rate coefficients for N2-N2 collision-induced vibrational energy exchange (important for the enhancement of several modern innovative technologies) have been computed over a wide range of temperature. Potential energy surfaces based on different formulations of the intramolecular and intermolecular components of the interaction have been used to compute quasiclassically and semiclassically some vibrational to vibrational energy transfer rate coefficients. Related outcomes have been rationalized in terms of state-to-state probabilities and cross sections for quasi-resonant transitions and deexcitations from the first excited vibrational level (for which experimental information are available). On this ground, it has been possible to spot critical differences on the vibrational energy exchange mechanisms supported by the different surfaces (mainly by their intermolecular components) in the low collision energy regime, though still effective for temperatures as high as 10,000 K. It was found, in particular, that the most recently proposed intermolecular potential becomes the most effective in promoting vibrational energy exchange near threshold temperatures and has a behavior opposite to the previously proposed one when varying the coupling of vibration with the other degrees of freedom. Copyright © 2014 Wiley Periodicals, Inc.

ULTRAFAST CHEMISTRY: Using Time-Resolved Vibrational Spectroscopy for Interrogation of Structural Dynamics

NASA Astrophysics Data System (ADS)

Nibbering, Erik T. J.; Fidder, Henk; Pines, Ehud

2005-05-01

Time-resolved infrared (IR) and Raman spectroscopy elucidates molecular structure evolution during ultrafast chemical reactions. Following vibrational marker modes in real time provides direct insight into the structural dynamics, as is evidenced in studies on intramolecular hydrogen transfer, bimolecular proton transfer, electron transfer, hydrogen bonding during solvation dynamics, bond fission in organometallic compounds and heme proteins, cis-trans isomerization in retinal proteins, and transformations in photochromic switch pairs. Femtosecond IR spectroscopy monitors the site-specific interactions in hydrogen bonds. Conversion between excited electronic states can be followed for intramolecular electron transfer by inspection of the fingerprint IR- or Raman-active vibrations in conjunction with quantum chemical calculations. Excess internal vibrational energy, generated either by optical excitation or by internal conversion from the electronic excited state to the ground state, is observable through transient frequency shifts of IR-active vibrations and through nonequilibrium populations as deduced by Raman resonances.

Vibrational-rotational deexcitation of HF in collision with He

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bieniek, R.J.

State-to-state cross sections are reported for vibrational-rotational transitions for HF in collisions with He, at collisional energies of 0.5 and 1.0 eV. These were computed within the infinite-order sudden (IOS) approximation using adiabatic, distorted-wave techniques. Values are tabulated for the vibrational-rotational deexcitation sequences (v, j) ..-->.. (v--1, 0), with v = 1, 2, 3, 4 and j = 0 -- 40. These quenching cross sections can be used in conjunction with IOS factorization formulas to compute VRT cross sections for final rotational states other than j/sub f/ = 0. In addition to IOS results, vibrational quenching cross sections were computedmore » using the much more simple breathing-sphere technique. The breathing-sphere results compare favorably to the more accurate IOS results, particularly as to energy dependence. This suggests a simple method of utilizing known quenching cross sections to predict values for different vibrational levels and/or collisional energies.« less

Far-infrared laser vibration-rotation-tunneling spectroscopy of water clusters in the librational band region of liquid water

NASA Astrophysics Data System (ADS)

Keutsch, Frank N.; Fellers, Ray S.; Viant, Mark R.; Saykally, Richard J.

2001-03-01

We report the first high resolution spectrum of a librational vibration for a water cluster. Four parallel bands of (H2O)3 were measured between 510 and 525 cm-1 using diode laser vibration-rotation-tunneling (VRT) spectroscopy. The bands lie in the "librational band" region of liquid water and are assigned to the nondegenerate out of plane librational vibration. The observation of at least three distinct bands within 8 cm-1 originating in the vibrational ground state is explained by a dramatically increased splitting of the rovibrational levels relative to the ground state by bifurcation tunneling and is indicative of a greatly reduced barrier height in the excited state. This tunneling motion is of special significance, as it is the lowest energy pathway for breaking and reforming of hydrogen bonds, a salient aspect of liquid water dynamics.

Validity and inter-observer reliability of subjective hand-arm vibration assessments.

PubMed

Coenen, Pieter; Formanoy, Margriet; Douwes, Marjolein; Bosch, Tim; de Kraker, Heleen

2014-07-01

Exposure to mechanical vibrations at work (e.g., due to handling powered tools) is a potential occupational risk as it may cause upper extremity complaints. However, reliable and valid assessment methods for vibration exposure at work are lacking. Measuring hand-arm vibration objectively is often difficult and expensive, while often used information provided by manufacturers lacks detail. Therefore, a subjective hand-arm vibration assessment method was tested on validity and inter-observer reliability. In an experimental protocol, sixteen tasks handling powered tools were executed by two workers. Hand-arm vibration was assessed subjectively by 16 observers according to the proposed subjective assessment method. As a gold standard reference, hand-arm vibration was measured objectively using a vibration measurement device. Weighted κ's were calculated to assess validity, intra-class-correlation coefficients (ICCs) were calculated to assess inter-observer reliability. Inter-observer reliability of the subjective assessments depicting the agreement among observers can be expressed by an ICC of 0.708 (0.511-0.873). The validity of the subjective assessments as compared to the gold-standard reference can be expressed by a weighted κ of 0.535 (0.285-0.785). Besides, the percentage of exact agreement of the subjective assessment compared to the objective measurement was relatively low (i.e., 52% of all tasks). This study shows that subjectively assessed hand-arm vibrations are fairly reliable among observers and moderately valid. This assessment method is a first attempt to use subjective risk assessments of hand-arm vibration. Although, this assessment method can benefit from some future improvement, it can be of use in future studies and in field-based ergonomic assessments. Copyright © 2014 Elsevier Ltd and The Ergonomics Society. All rights reserved.

The polarization anisotropy of vibrational quantum beats in resonant pump-probe experiments: Diagrammatic calculations for square symmetric molecules.

PubMed

Farrow, Darcie A; Smith, Eric R; Qian, Wei; Jonas, David M

2008-11-07

By analogy to the Raman depolarization ratio, vibrational quantum beats in pump-probe experiments depend on the relative pump and probe laser beam polarizations in a way that reflects vibrational symmetry. The polarization signatures differ from those in spontaneous Raman scattering because the order of field-matter interactions is different. Since pump-probe experiments are sensitive to vibrations on excited electronic states, the polarization anisotropy of vibrational quantum beats can also reflect electronic relaxation processes. Diagrammatic treatments, which expand use of the symmetry of the two-photon tensor to treat signal pathways with vibrational and vibronic coherences, are applied to find the polarization anisotropy of vibrational and vibronic quantum beats in pump-probe experiments for different stages of electronic relaxation in square symmetric molecules. Asymmetric vibrational quantum beats can be distinguished from asymmetric vibronic quantum beats by a pi phase jump near the center of the electronic spectrum and their disappearance in the impulsive limit. Beyond identification of vibrational symmetry, the vibrational quantum beat anisotropy can be used to determine if components of a doubly degenerate electronic state are unrelaxed, dephased, population exchanged, or completely equilibrated.

Hormonal and Neuromuscular Responses to Mechanical Vibration Applied to Upper Extremity Muscles

PubMed Central

Di Giminiani, Riccardo; Fabiani, Leila; Baldini, Giuliano; Cardelli, Giovanni; Giovannelli, Aldo; Tihanyi, Jozsef

2014-01-01

Objective To investigate the acute residual hormonal and neuromuscular responses exhibited following a single session of mechanical vibration applied to the upper extremities among different acceleration loads. Methods Thirty male students were randomly assigned to a high vibration group (HVG), a low vibration group (LVG), or a control group (CG). A randomized double-blind, controlled-parallel study design was employed. The measurements and interventions were performed at the Laboratory of Biomechanics of the University of L'Aquila. The HVG and LVG participants were exposed to a series of 20 trials ×10 s of synchronous whole-body vibration (WBV) with a 10-s pause between each trial and a 4-min pause after the first 10 trials. The CG participants assumed an isometric push-up position without WBV. The outcome measures were growth hormone (GH), testosterone, maximal voluntary isometric contraction during bench-press, maximal voluntary isometric contraction during handgrip, and electromyography root-mean-square (EMGrms) muscle activity (pectoralis major [PM], triceps brachii [TB], anterior deltoid [DE], and flexor carpi radialis [FCR]). Results The GH increased significantly over time only in the HVG (P = 0.003). Additionally, the testosterone levels changed significantly over time in the LVG (P = 0.011) and the HVG (P = 0.001). MVC during bench press decreased significantly in the LVG (P = 0.001) and the HVG (P = 0.002). In the HVG, the EMGrms decreased significantly in the TB (P = 0.006) muscle. In the LVG, the EMGrms decreased significantly in the DE (P = 0.009) and FCR (P = 0.006) muscles. Conclusion Synchronous WBV acutely increased GH and testosterone serum concentrations and decreased the MVC and their respective maximal EMGrms activities, which indicated a possible central fatigue effect. Interestingly, only the GH response was dependent on the acceleration with respect to the subjects' responsiveness. PMID:25368995

A first principles study of the mechanical, electronic, and vibrational properties of lead oxide

NASA Astrophysics Data System (ADS)

Zhuravlev, Yu. N.; Korabel'nikov, D. V.

2017-11-01

The first principles study of the crystal structure, chemical bonds, elastic and mechanical properties, electron energy band structure and density, and normal long-wave vibrations of nine phases of lead monoxide, dioxide, and tetraoxide has been performed under normal and external pressure within the framework of density functional theory (DFT) with the Perdew-Becke-Ernzerhof (PBE) gradient exchange-correlation functional and its hybrid version with a 25-% Hartree-Fock (HF) exchange contribution in the basis of localized atom orbitals. The behavior of physical parameters has been studied using the cold four- and threeparameter equations of state. The parameters of the crystal structures are in satisfactory agreement with experimental data, and elastic constants indicate their mechanical stability and anisotropy in the elastic properties. The elasticity, shear, and Young moduli, hardness, acoustic velocities, and Debye temperature of dioxide on the one hand and monoxide and tetraoxide on the other hand appreciably differ from each other. The difference between electron properties may be explained by the character of hybridization in the upper filled and lower empty energy bands as evident from the density of states. In monoxide, the indirect band gap width decreases with increasing pressure at a rate of 0.16 eV/GPa, and the direct band gap width increases at a rate of 0.13 eV/GPa. To identify crystalline phases, the frequencies and intensities of long-wave modes active in IR and Raman spectra have been calculated.

Millimeter-wave and Submillimeter-wave Spectra of Aminoacetonitrile in the Three Lowest Vibrational Excited States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Esposti, Claudio Degli; Dore, Luca; Melosso, Mattia

It is important to study possible precursors of amino acids such as glycine to enable future searches in interstellar space. Aminoacetonitrile (NH{sub 2}CH{sub 2}CN) is one of the most feasible molecules for this purpose. This molecule was already detected toward Sgr B2(N). Aminoacetonitrile has a few low-lying vibrational excited states, and transitions within these states may be found in space. In this study, the pure-rotational transitions in the three lowest vibrational states in the 80–450 GHz range have been assigned and analyzed. It was found to be very important to include Coriolis coupling between the two lowest vibrational fundamentals, whilemore » the third one was unperturbed. The partition function was evaluated considering these new results.« less

Microwave spectrum of arsenic triphosphide

NASA Astrophysics Data System (ADS)

Daly, Adam M.; Cossairt, Brandi M.; Southwood, Gavin; Carey, Spencer J.; Cummins, Christopher C.; Kukolich, Stephen G.

2012-08-01

The microwave spectrum of AsP3 has been measured and assignments for three different vibrational states have been made. The symmetric top ΔJ = +1 transitions have been fit to obtain rotational constants, centrifugal distortion constants and quadrupole coupling strengths for the three vibrational states (I-III), BI = 2201.394(1) MHz, eQqaaI = 48.728(5) MHz, DJI = 0.2(3) kHz, DJKI = 0.5(1) kHz and σI = 4 kHz, BII = 2192.26(1) MHz, eQqaaII = 48.62(4) MHz, BIII = 2183.93(2) MHz, eQqaaIII = 48.53(4) MHz. The experimental vibration-rotation coupling constant, α(ν4) = 9.20(3) MHz is compared with results from MP2/6-311G** calculations. The excited states (II and III) are tentatively assigned to the ν4 and 2ν4 excited vibrational states.

Vibration-translation energy transfer in anharmonic diatomic molecules. 2: The vibrational quantum number dependence

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1975-01-01

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom was used to predict the variation of thermally averaged vibration-translation rate coefficients with temperature and initial-state quantum number. Multiple oscillator states were included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model was also used as a basis for evaluating several less complete but analytic models. Two computationally simple analytic approximations were found that successfully reproduced the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations were also identified. The relative rates of multiple-quantum transitions from excited states were evaluated for several molecular types.

Spatial mapping of electronic states in κ-(BEDT-TTF)2X using infrared reflectivity

PubMed Central

Sasaki, Takahiko; Yoneyama, Naoki

2009-01-01

We review our recent work on spatial inhomogeneity of the electronic states in the strongly correlated molecular conductors κ-(BEDT-TTF)2X. Spatial mapping of infrared spectra (SMIS) is used for imaging the distribution of the local electronic states. In molecular materials, the infrared response of the specific molecular vibration mode with a strong electron–molecular vibration coupling can reflect the electronic states via the change in the vibration frequency. By spatially mapping the frequency shift of the molecular vibration mode, an electronic phase separation has been visualized near the first-order Mott transition in the bandwidth-controlled organic conductor κ-(BEDT-TTF)2Cu[N(CN)2]Br. In addition to reviewing SMIS of the phase separation, we briefly mention the electronic and optical properties of κ-(BEDT-TTF)2X. PMID:27877279

Electron Impact Cross Sections for Molecular Lasers

DTIC Science & Technology

1984-04-27

range coumunication and surveillance, isotope separation, and controlled thermonuclear fussion . Among all kinds of lasers, the gaseous discharge...shape resonance of n symmetry (reviewed by Schulz, 1976). Like vibrational excitation from the ground state, such process from nuclear -excited states as...energy range specifically in the 1-4 eV resonant region. 4 - A. Vibrational Excitation of Nuclear -Excited N2 For vibrational excitation by

Alignment, vibronic level splitting, and coherent coupling effects on the pump-probe polarization anisotropy.

PubMed

Smith, Eric R; Jonas, David M

2011-04-28

The pump-probe polarization anisotropy is computed for molecules with a nondegenerate ground state, two degenerate or nearly degenerate excited states with perpendicular transition dipoles, and no resonant excited-state absorption. Including finite pulse effects, the initial polarization anisotropy at zero pump-probe delay is predicted to be r(0) = 3/10 with coherent excitation. During pulse overlap, it is shown that the four-wave mixing classification of signal pathways as ground or excited state is not useful for pump-probe signals. Therefore, a reclassification useful for pump-probe experiments is proposed, and the coherent anisotropy is discussed in terms of a more general transition dipole and molecular axis alignment instead of experiment-dependent ground- versus excited-state pathways. Although coherent excitation enhances alignment of the transition dipole, the molecular axes are less aligned than for a single dipole transition, lowering the initial anisotropy. As the splitting between excited states increases beyond the laser bandwidth and absorption line width, the initial anisotropy increases from 3/10 to 4/10. Asymmetric vibrational coordinates that lift the degeneracy control the electronic energy gap and off-diagonal coupling between electronic states. These vibrations dephase coherence and equilibrate the populations of the (nearly) degenerate states, causing the anisotropy to decay (possibly with oscillations) to 1/10. Small amounts of asymmetric inhomogeneity (2 cm(-1)) cause rapid (130 fs) suppression of both vibrational and electronic anisotropy beats on the excited state, but not vibrational beats on the ground electronic state. Recent measurements of conical intersection dynamics in a silicon napthalocyanine revealed anisotropic quantum beats that had to be assigned to asymmetric vibrations on the ground electronic state only [Farrow, D. A.; J. Chem. Phys. 2008, 128, 144510]. Small environmental asymmetries likely explain the observed absence of excited-state asymmetric vibrations in those experiments.

Disability in the upper extremity and quality of life in hand-arm vibration syndrome.

PubMed

Poole, Kerry; Mason, Howard

2005-11-30

To investigate whether hand-arm vibration syndrome (HAVS) leads to disability in the upper extremity or deficit in quality of life (QoL) using validated questionnaire tools, and to establish whether these effects are related to the Stockholm Workshop Staging (SWS). This was a postal cross-sectional questionnaire study with a 50% response rate. Four hundred and forty-four males, who had been diagnosed and staged according to the SWS were sent the Disability in the Arm, Shoulder and Hand (DASH) and the SF-36v2 QoL questionnaires. HAVS cases had significantly greater DASH disability scores and reduced QoL physical and mental component scores compared to published normal values. Those HAVS cases with a presumptive diagnosis of Carpal Tunnel Syndrome(CTS) had even higher disability scores. There was a clear, linear relationship between both the DASH disability score and the physical component of the QoL and sensorineural SWS, but not with the vascular SWS. HAVS has a significant effect on an individual's perceived ability to perform everyday tasks involving the upper extremity, and their quality of life. Physical capability may be further compromised in those individuals who have a presumptive diagnosis of CTS. These findings may have important implications regarding management of the affected worker.

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range.

PubMed

Tyuterev, Vladimir G; Kochanov, Roman V; Tashkun, Sergey A; Holka, Filip; Szalay, Péter G

2013-10-07

An accurate description of the complicated shape of the potential energy surface (PES) and that of the highly excited vibration states is of crucial importance for various unsolved issues in the spectroscopy and dynamics of ozone and remains a challenge for the theory. In this work a new analytical representation is proposed for the PES of the ground electronic state of the ozone molecule in the range covering the main potential well and the transition state towards the dissociation. This model accounts for particular features specific to the ozone PES for large variations of nuclear displacements along the minimum energy path. The impact of the shape of the PES near the transition state (existence of the "reef structure") on vibration energy levels was studied for the first time. The major purpose of this work was to provide accurate theoretical predictions for ozone vibrational band centres at the energy range near the dissociation threshold, which would be helpful for understanding the very complicated high-resolution spectra and its analyses currently in progress. Extended ab initio electronic structure calculations were carried out enabling the determination of the parameters of a minimum energy path PES model resulting in a new set of theoretical vibrational levels of ozone. A comparison with recent high-resolution spectroscopic data on the vibrational levels gives the root-mean-square deviations below 1 cm(-1) for ozone band centres up to 90% of the dissociation energy. New ab initio vibrational predictions represent a significant improvement with respect to all previously available calculations.

O2 Herzberg State Reaction with N2: A Possible Source of Stratospheric N2O

NASA Technical Reports Server (NTRS)

Slanger, Tom G.; Copeland, Richard A.

1997-01-01

The goal of this one-year investigation was to determine whether N2O is formed in atmospherically significant quantities by the reaction of vibrationally excited levels of the O2((A3 Sigma(sub u)(sup +)) state with nitrogen. O2(A3 Sigma(sub u)(sup +)) is made throughout the upper stratosphere in considerable amounts by solar photoabsorption, and only a very small reactive yield is necessary for this mechanism to be a major N2O source. By long-term 245-252 nm irradiation of O2/N2 mixtures on- and off-resonance with absorption lines in the O2(A3 Sigma(sub u)(sup +) - X3 Sigma(sub g)(sup -)) transition, followed by N2O analysis by frequency-modulated diode laser absorption spectroscopy, we determined an upper limit for the N2O yield of the candidate reaction. This limit, 3 x 10(exp -5), eliminates O2(A3 Sigma(sub u)(sup +)) + N2 as a significant channel for the generation of stratospheric N2O. In further measurements, we established that N2O is stable under our photolysis conditions, showing that the small amounts of ozone generated from the reaction of O2(A) and O2 do not indirectly lead to destruction of N2O.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Craig, Norman C.; Leyden, Matthew C.; Moore, Michael C.

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 bandsmore » 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.« less

Bubbling behavior of a fluidized bed of fine particles caused by vibration-induced air inflow

PubMed Central

Matsusaka, Shuji; Kobayakawa, Murino; Mizutani, Megumi; Imran, Mohd; Yasuda, Masatoshi

2013-01-01

We demonstrate that a vibration-induced air inflow can cause vigorous bubbling in a bed of fine particles and report the mechanism by which this phenomenon occurs. When convective flow occurs in a powder bed as a result of vibrations, the upper powder layer with a high void ratio moves downward and is compressed. This process forces the air in the powder layer out, which leads to the formation of bubbles that rise and eventually burst at the top surface of the powder bed. A negative pressure is created below the rising bubbles. A narrow opening at the bottom allows the outside air to flow into the powder bed, which produces a vigorously bubbling fluidized bed that does not require the use of an external air supply system. PMID:23378921

Testing of UH-60A helicopter transmission in NASA Lewis 2240-kW (3000-hp) facility

NASA Technical Reports Server (NTRS)

Mitchell, A. M.; Oswald, F. B.; Coe, H. H.

1986-01-01

The U.S. Army's UH-60A Black Hawk 2240-kW (3000-hp) class, twin-engine helicopter transmission was tested at the NASA Lewis Research Center. The vibration and efficiency test results will be used to enhance the data base for similar-class helicopters. Most of the data were obtained for a matrix of test conditions of 50 to 100 percent of rated rotor speed and 20 to 100 percent of rated input power. The transmission's mechanical efficiency at 100 percent of rated power was 97.3 and 97.5 percent with its inlet oil maintained at 355 and 372 K (180 and 210 F), respectively. The highest vibration reading was 72 g's rms at the upper housing side wall. Other vibration levels measured near the gear meshes are reported.

High resolution photoelectron imaging of UO(-) and UO2(-) and the low-lying electronic states and vibrational frequencies of UO and UO2.

PubMed

Czekner, Joseph; Lopez, Gary V; Wang, Lai-Sheng

2014-12-28

We report a study of the electronic and vibrational structures of the gaseous uranium monoxide and dioxide molecules using high-resolution photoelectron imaging. Vibrationally resolved photoelectron spectra are obtained for both UO(-) and UO2(-). The spectra for UO2(-) are consistent with, but much better resolved than a recent study using a magnetic-bottle photoelectron analyzer [W. L. Li et al., J. Chem. Phys. 140, 094306 (2014)]. The electron affinity (EA) of UO is reported for the first time as 1.1407(7) eV, whereas a much more accurate EA is obtained for UO2 as 1.1688(6) eV. The symmetric stretching modes for the neutral and anionic ground states, and two neutral excited states for UO2 are observed, as well as the bending mode for the neutral ground state. These vibrational frequencies are consistent with previous experimental and theoretical results. The stretching vibrational modes for the ground state and one excited state are observed for UO. The current results for UO and UO2 are compared with previous theoretical calculations including relativistic effects and spin-orbit coupling. The accurate experimental data reported here provide more stringent tests for future theoretical methods for actinide-containing species.

Electronic and vibrational spectroscopy and vibrationally mediated photodissociation of V+(OCO).

PubMed

Citir, Murat; Altinay, Gokhan; Metz, Ricardo B

2006-04-20

Electronic spectra of gas-phase V+(OCO) are measured in the near-infrared from 6050 to 7420 cm(-1) and in the visible from 15,500 to 16,560 cm(-1), using photofragment spectroscopy. The near-IR band is complex, with a 107 cm(-1) progression in the metal-ligand stretch. The visible band shows clearly resolved vibrational progressions in the metal-ligand stretch and rock, and in the OCO bend, as observed by Brucat and co-workers. A vibrational hot band gives the metal-ligand stretch frequency in the ground electronic state nu3'' = 210 cm(-1). The OCO antisymmetric stretch frequency in the ground electronic state (nu1'') is measured by using vibrationally mediated photodissociation. An IR laser vibrationally excites ions to nu1'' = 1. Vibrationally excited ions selectively dissociate following absorption of a second, visible photon at the nu1' = 1 <-- nu1'' = 1 transition. Rotational structure in the resulting vibrational action spectrum confirms that V+(OCO) is linear and gives nu1'' = 2392.0 cm(-1). The OCO antisymmetric stretch frequency in the excited electronic state is nu1' = 2368 cm(-1). Both show a blue shift from the value in free CO2, due to interaction with the metal. Larger blue shifts observed for complexes with fewer ligands agree with trends seen for larger V+(OCO)n clusters.

Damage/fault diagnosis in an operating wind turbine under uncertainty via a vibration response Gaussian mixture random coefficient model based framework

NASA Astrophysics Data System (ADS)

Avendaño-Valencia, Luis David; Fassois, Spilios D.

2017-07-01

The study focuses on vibration response based health monitoring for an operating wind turbine, which features time-dependent dynamics under environmental and operational uncertainty. A Gaussian Mixture Model Random Coefficient (GMM-RC) model based Structural Health Monitoring framework postulated in a companion paper is adopted and assessed. The assessment is based on vibration response signals obtained from a simulated offshore 5 MW wind turbine. The non-stationarity in the vibration signals originates from the continually evolving, due to blade rotation, inertial properties, as well as the wind characteristics, while uncertainty is introduced by random variations of the wind speed within the range of 10-20 m/s. Monte Carlo simulations are performed using six distinct structural states, including the healthy state and five types of damage/fault in the tower, the blades, and the transmission, with each one of them characterized by four distinct levels. Random vibration response modeling and damage diagnosis are illustrated, along with pertinent comparisons with state-of-the-art diagnosis methods. The results demonstrate consistently good performance of the GMM-RC model based framework, offering significant performance improvements over state-of-the-art methods. Most damage types and levels are shown to be properly diagnosed using a single vibration sensor.

Synchronized imaging and acoustic analysis of the upper airway in patients with sleep-disordered breathing.

PubMed

Chang, Yi-Chung; Huon, Leh-Kiong; Pham, Van-Truong; Chen, Yunn-Jy; Jiang, Sun-Fen; Shih, Tiffany Ting-Fang; Tran, Thi-Thao; Wang, Yung-Hung; Lin, Chen; Tsao, Jenho; Lo, Men-Tzung; Wang, Pa-Chun

2014-12-01

Progressive narrowing of the upper airway increases airflow resistance and can produce snoring sounds and apnea/hypopnea events associated with sleep-disordered breathing due to airway collapse. Recent studies have shown that acoustic properties during snoring can be altered with anatomic changes at the site of obstruction. To evaluate the instantaneous association between acoustic features of snoring and the anatomic sites of obstruction, a novel method was developed and applied in nine patients to extract the snoring sounds during sleep while performing dynamic magnetic resonance imaging (MRI). The degree of airway narrowing during the snoring events was then quantified by the collapse index (ratio of airway diameter preceding and during the events) and correlated with the synchronized acoustic features. A total of 201 snoring events (102 pure retropalatal and 99 combined retropalatal and retroglossal events) were recorded, and the collapse index as well as the soft tissue vibration time were significantly different between pure retropalatal (collapse index, 2 ± 11%; vibration time, 0.2 ± 0.3 s) and combined (retropalatal and retroglossal) snores (collapse index, 13 ± 7% [P ≤ 0.0001]; vibration time, 1.2 ± 0.7 s [P ≤ 0.0001]). The synchronized dynamic MRI and acoustic recordings successfully characterized the sites of obstruction and established the dynamic relationship between the anatomic site of obstruction and snoring acoustics.

Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Śmiałek, M. A., E-mail: smialek@pg.gda.pl; Łabuda, M.; Guthmuller, J.

2014-09-14

The highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C{sub 2}H{sub 5}OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of ethyl formate and are compared with a newly recorded He(I) photoelectron spectrum (from 10.1 to 16.1 eV). Newmore » vibrational structure is observed in the first photoelectron band. The photoabsorption cross sections have been used to calculate the photolysis lifetime of ethyl formate in the upper stratosphere (20–50 km)« less

Beliefs about women's vibrator use: results from a nationally representative probability survey in the United States.

PubMed

Herbenick, Debra; Reece, Michael; Schick, Vanessa; Jozkowski, Kristen N; Middelstadt, Susan E; Sanders, Stephanie A; Dodge, Brian S; Ghassemi, Annahita; Fortenberry, J Dennis

2011-01-01

Women's vibrator use is common in the United States, although little is known about beliefs about its use. Elicitation surveys and interviews informed the development of a 10-item scale, the Beliefs About Women's Vibrator Use Scale, which was administered to a nationally representative probability sample of adults ages 18 to 60 years. Most women and men held high positive and low negative beliefs about women's vibrator use. Women with positive beliefs reported higher Female Sexual Function Index scores related to arousal, lubrication, orgasm, satisfaction, and pain (indicating less pain).

On vibrational imperfection sensitivity of Augusti's model structure in the vicinity of a non-linear static state

NASA Technical Reports Server (NTRS)

Elishakoff, Isaac; Marcus, S.; Starnes, J. H., JR.

1998-01-01

In this paper we present a closed-form solution for vibrational imperfection sensitivity the effect of small imperfections on the vibrational frequencies of perturbed motion around the static equilibrium state of Augusti's model Structure (a rigid link, pinned at one end to a rigid foundation and supported at the other by a linear extensional spring that retains its horizontality, as the system deflects). We also treat a modified version of that model with attendant slightly different dynamics. It is demonstrated that the vibrational frequencies decreases as the initial imperfections increase.

Van der Waals potential and vibrational energy levels of the ground state radon dimer

NASA Astrophysics Data System (ADS)

Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

2017-08-01

In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.

The shift of harmonics with different initial vibrational states in the H{}_{2}^{+} molecular ion

NASA Astrophysics Data System (ADS)

Zhang, Jun; Pan, Xue-Fei; Xu, Tong-Tong; Liu, Xue-Shen

2017-05-01

Molecular high-order harmonic generation of H{}2+ and its isotopes is investigated by numerical simulations of the non-Born-Oppenheimer time-dependent Schrödinger equations. The general characteristic of the typical high-order harmonic generation (HHG) spectra for the H{}2+ molecule indicates that only the odd harmonics can be generated. Here we show that how the initial vibrational states and nuclear dynamics break down this standard characteristic, i.e. a redshift or blueshift of the harmonics appears. We investigate the effect of the initial vibrational states on the redshift or blueshift of the HHG spectrum under trapezoidal laser pulses. The ionization probability and time-frequency analysis are used to illustrate the physical mechanism of the shift of the harmonics. We also show the HHG spectra from the different isotopes of H2+ molecule with different initial vibrational states.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, W.; Zhu, W. D.; Smith, S. A.

While structural damage detection based on flexural vibration shapes, such as mode shapes and steady-state response shapes under harmonic excitation, has been well developed, little attention is paid to that based on longitudinal vibration shapes that also contain damage information. This study originally formulates a slope vibration shape for damage detection in bars using longitudinal vibration shapes. To enhance noise robustness of the method, a slope vibration shape is transformed to a multiscale slope vibration shape in a multiscale domain using wavelet transform, which has explicit physical implication, high damage sensitivity, and noise robustness. These advantages are demonstrated in numericalmore » cases of damaged bars, and results show that multiscale slope vibration shapes can be used for identifying and locating damage in a noisy environment. A three-dimensional (3D) scanning laser vibrometer is used to measure the longitudinal steady-state response shape of an aluminum bar with damage due to reduced cross-sectional dimensions under harmonic excitation, and results show that the method can successfully identify and locate the damage. Slopes of longitudinal vibration shapes are shown to be suitable for damage detection in bars and have potential for applications in noisy environments.« less

Vibrational autoionization of state-selective jet-cooled methanethiol (CH 3SH) investigated with infrared + vacuum-ultraviolet photoionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Min; Shen, Zhitao; Pratt, S. T.

Vibrational autoionization of Rydberg states provides key information about nonadiabatic processes above an ionization threshold. In this work, we employed time-of-flight mass detection of CH 3SH + to record vibrational-state selective photo-ionization efficiency (PIE) spectra of jet-cooled methanethiol (CH 3SH) on exciting CH 3SH to a specific vibrationally excited state with an infrared (IR) laser, followed by excitation with a tunable laser in the vacuum-ultraviolet (VUV) region for ionization. Autoionizing Rydberg states assigned to the ns, np, nd and nf series are identified. When IR light at 2601 (ν 3, SH stretching mode) and 2948 cm -1 (ν 2, CHmore » 3 symmetric stretching mode) was employed, the Rydberg series converged to the respective vibrationally excited (ν 3 and ν 2) states of CH 3SH +. When IR light at 3014 cm -1 (overlapped ν 1/ν 9, CH 3 antisymmetric stretching and CH 2 antisymmetric stretching modes) was employed, Rydberg series converging to two vibrationally excited states (ν 1 and ν 9) of CH 3SH + were observed. When IR light at 2867 cm -1 (2ν 10, overtone of CH 3 deformation mode) and 2892 cm -1 (2ν 4, overtone of CH 2 scissoring mode) was employed, both Δν = -1 and Δν = -2 ionization transitions were observed; there is evidence for direct ionization from the initial state into the CH 3SH + (ν 4 + = 1) continuum. In all observed IR-VUV-PIE spectra, the ns and nd series show intensity greater than the other Rydberg series, which is consistent with the fact that the highest-occupied molecular orbital of CH 3SH is a p-like lone pair orbital on the S atom. Finally, the quantum yields for autoionization of various vibrational excited states are discussed. Values of ν 1 = 3035, ν 2 = 2884, ν 3 = 2514, and ν 9 = 2936 cm -1 for CH 3SH + derived from the converged limits agree satisfactorily with values observed for Ar-tagged CH 3SH + at 3026, 2879, 2502, and 2933 cm -1.« less

Vibrational autoionization of state-selective jet-cooled methanethiol (CH 3SH) investigated with infrared + vacuum-ultraviolet photoionization

DOE PAGES

Xie, Min; Shen, Zhitao; Pratt, S. T.; ...

2017-10-24

Vibrational autoionization of Rydberg states provides key information about nonadiabatic processes above an ionization threshold. In this work, we employed time-of-flight mass detection of CH 3SH + to record vibrational-state selective photo-ionization efficiency (PIE) spectra of jet-cooled methanethiol (CH 3SH) on exciting CH 3SH to a specific vibrationally excited state with an infrared (IR) laser, followed by excitation with a tunable laser in the vacuum-ultraviolet (VUV) region for ionization. Autoionizing Rydberg states assigned to the ns, np, nd and nf series are identified. When IR light at 2601 (ν 3, SH stretching mode) and 2948 cm -1 (ν 2, CHmore » 3 symmetric stretching mode) was employed, the Rydberg series converged to the respective vibrationally excited (ν 3 and ν 2) states of CH 3SH +. When IR light at 3014 cm -1 (overlapped ν 1/ν 9, CH 3 antisymmetric stretching and CH 2 antisymmetric stretching modes) was employed, Rydberg series converging to two vibrationally excited states (ν 1 and ν 9) of CH 3SH + were observed. When IR light at 2867 cm -1 (2ν 10, overtone of CH 3 deformation mode) and 2892 cm -1 (2ν 4, overtone of CH 2 scissoring mode) was employed, both Δν = -1 and Δν = -2 ionization transitions were observed; there is evidence for direct ionization from the initial state into the CH 3SH + (ν 4 + = 1) continuum. In all observed IR-VUV-PIE spectra, the ns and nd series show intensity greater than the other Rydberg series, which is consistent with the fact that the highest-occupied molecular orbital of CH 3SH is a p-like lone pair orbital on the S atom. Finally, the quantum yields for autoionization of various vibrational excited states are discussed. Values of ν 1 = 3035, ν 2 = 2884, ν 3 = 2514, and ν 9 = 2936 cm -1 for CH 3SH + derived from the converged limits agree satisfactorily with values observed for Ar-tagged CH 3SH + at 3026, 2879, 2502, and 2933 cm -1.« less

Conformation-selective resonant photoelectron imaging from dipole-bound states of cold 3-hydroxyphenoxide

NASA Astrophysics Data System (ADS)

Zhu, Guo-Zhu; Huang, Dao-Ling; Wang, Lai-Sheng

2017-07-01

We report a photoelectron imaging and photodetachment study of cryogenically cooled 3-hydroxyphenoxide (3HOP) anions, m-HO(C6H4)O-. In a previous preliminary study, two conformations of the cold 3HOP anions with different dipole bound states were observed [D. L. Huang et al., J. Phys. Chem. Lett. 6, 2153 (2015)]. Five near-threshold vibrational resonances were revealed in the photodetachment spectrum from the dipole-bound excited states of the two conformations. Here, we report a more extensive investigation of the two conformers with observation of thirty above-threshold vibrational resonances in a wide spectral range between 18 850 and 19 920 cm-1 (˜1000 cm-1 above the detachment thresholds). By tuning the detachment laser to the vibrational resonances in the photodetachment spectrum, high-resolution conformation-selective resonant photoelectron images are obtained. Using information of the autodetachment channels and theoretical vibrational frequencies, we are able to assign the resonant peaks in the photodetachment spectrum: seventeen are assigned to vibrational levels of anti-3HOP, eight to syn-3HOP, and five to overlapping vibrational levels of both conformers. From the photodetachment spectrum and the conformation-selective resonant photoelectron spectra, we have obtained fourteen fundamental vibrational frequencies for the neutral syn- and anti-m-HO(C6H4)Oṡ radicals. The possibility to produce conformation-selected neutral beams using resonant photodetachment via dipole-bound excited states of anions is discussed.

Electronic correlation in the infrared optical properties of the quasi-two-dimensional κ-type BEDT-TTF dimer system

NASA Astrophysics Data System (ADS)

Sasaki, T.; Ito, I.; Yoneyama, N.; Kobayashi, N.; Hanasaki, N.; Tajima, H.; Ito, T.; Iwasa, Y.

2004-02-01

The polarized optical reflectance spectra of the quasi-two-dimensional organic correlated electron system κ-(BEDT-TTF)2Cu[N(CN)2]Y, Y=Br and Cl are measured in the infrared region. The former shows the superconductivity at Tc≃11.6 K and the latter does the antiferromagnetic insulator transition at TN≃28 K. Both the specific molecular vibration mode ν3(ag) of the BEDT-TTF molecule and the optical conductivity hump in the mid-infrared region change correlatively at T*≃38 K of κ-(BEDT-TTF)2Cu[N(CN)2]Br, although no indication of T* but the insulating behavior below Tins≃50 60 K are found in κ-(BEDT-TTF)2Cu[N(CN)2]Cl. The results suggest that the electron-molecular vibration coupling on the ν3(ag) mode becomes weak due to the enhancement of the itinerant nature of the carriers on the dimer of the BEDT-TTF molecules below T*, while it does strong below Tins because of the localized carriers on the dimer. These changes are in agreement with the reduction and the enhancement of the mid-infrared conductivity hump below T* and Tins, respectively, which originates from the transitions between the upper and lower Mott-Hubbard bands. The present observations demonstrate that two different metallic states of κ-(BEDT-TTF)2Cu[N(CN)2]Br are regarded as a correlated good metal below T* including the superconducting state and a half filling bad metal above T*. In contrast the insulating state of κ-(BEDT-TTF)2Cu[N(CN)2]Cl below Tins is the Mott insulator.

Structural Damage Detection Using Slopes of Longitudinal Vibration Shapes

DOE PAGES

Xu, W.; Zhu, W. D.; Smith, S. A.; ...

2016-03-18

While structural damage detection based on flexural vibration shapes, such as mode shapes and steady-state response shapes under harmonic excitation, has been well developed, little attention is paid to that based on longitudinal vibration shapes that also contain damage information. This study originally formulates a slope vibration shape for damage detection in bars using longitudinal vibration shapes. To enhance noise robustness of the method, a slope vibration shape is transformed to a multiscale slope vibration shape in a multiscale domain using wavelet transform, which has explicit physical implication, high damage sensitivity, and noise robustness. These advantages are demonstrated in numericalmore » cases of damaged bars, and results show that multiscale slope vibration shapes can be used for identifying and locating damage in a noisy environment. A three-dimensional (3D) scanning laser vibrometer is used to measure the longitudinal steady-state response shape of an aluminum bar with damage due to reduced cross-sectional dimensions under harmonic excitation, and results show that the method can successfully identify and locate the damage. Slopes of longitudinal vibration shapes are shown to be suitable for damage detection in bars and have potential for applications in noisy environments.« less

Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest

NASA Astrophysics Data System (ADS)

McCaffery, Anthony J.

2018-03-01

This study of near-resonant, vibration-vibration (V-V) gas-phase energy transfer in diatomic molecules uses the theoretical/computational method, of Marsh & McCaffery (Marsh & McCaffery 2002 J. Chem. Phys. 117, 503 (doi:10.1063/1.1489998)) The method uses the angular momentum (AM) theoretical formalism to compute quantum-state populations within the component molecules of large, non-equilibrium, gas mixtures as the component species proceed to equilibration. Computed quantum-state populations are displayed in a number of formats that reveal the detailed mechanism of the near-resonant V-V process. Further, the evolution of quantum-state populations, for each species present, may be followed as the number of collision cycles increases, displaying the kinetics of evolution for each quantum state of the ensemble's molecules. These features are illustrated for ensembles containing vibrationally excited N2 in H2, O2 and N2 initially in their ground states. This article is part of the theme issue `Modern theoretical chemistry'.

Vibrational wave packet dynamics in NaK: The A 1Σ+ state

NASA Astrophysics Data System (ADS)

Andersson, L. Mauritz; Karlsson, Hans O.; Goscinski, Osvaldo; Berg, Lars-Erik; Beutter, Matthias; Hansson, Tony

1999-02-01

A combined experimental and theoretical study of the vibrational wave packet dynamics for the NaK molecule in the A 1Σ+ state is presented. The experiment utilises a 790 nm one-colour femtosecond pump-probe scheme with detection of a previously not reported dissociation pathway of the 3 1Π+ state, leading to the Na(3p)+K(4s) product channel. The dissociation is suggested to proceed via either collisionally mediated processes or a molecular cascading process via the 4 1Σ+ state, which crosses several states correlating to the Na(3p)+K(4s) limit. Time-dependent quantum mechanical calculations are used for studying the dynamics in detail. Simulations are performed both for 790 nm and for 766 nm, to relate also to earlier studies. The previous interpretations of the probe processes are revised. Inclusion of vibrational and rotational temperature effects are shown to be crucial for explaining the shape of the signal and the vibrational period, and leads to excellent agreement with the experiments.

Influence of vibrational states on high-order-harmonic generation and an isolated attosecond pulse from a N2 molecule

NASA Astrophysics Data System (ADS)

Guo, Jing; Ge, Xin-Lei; Zhong, Huiying; Zhao, Xi; Zhang, Meixia; Jiang, Yuanfei; Liu, Xue-Shen

2014-11-01

The high-order-harmonic generation (HHG) from the N2 molecule in an intense laser field is investigated by applying the Lewenstein method. The initial state is constructed as a linear combination of the highest occupied molecular orbital (HOMO) and the lower-lying orbital below the HOMO, which is well described by a Gaussian wave packet generated by using the gamess-uk package. The HHG with different vibrational states of N2 are calculated and our results show that the harmonic intensity can be enhanced by higher vibrational states, which can be explained by the ionization probability. We also compared the cases with a different full width at half maximum of laser fields together, which can be well understood by the time-frequency analysis and the three-step model. Finally, the attosecond pulse generation is studied with different vibrational states, where a series of attosecond pulses can be produced with the shortest being 91 as.

Anharmonic Resonances among Low-Lying Vibrational Levels of Methyl Iso-Cyanide (H_3CNC)

NASA Astrophysics Data System (ADS)

Pracna, P.; Urban, J.; Urban, V. S.; Varga, J.; Horneman, V.-M.

2010-06-01

Vibrational levels up to 1000 wn of H_3C-N≡C are currently studied in FTIR spectra together with rotational transitions within these levels. This investigation comprises the low-lying excited vibrational levels of the CNC doubly degenerate bending vibration v8=1^± 1 (267.3 wn), v8=20,± 2 (524.6 wn (A), 545.3 wn (E)), and v8=3^± 1,± 3 (792.5 wn (A1+A2), 833.9 wn (E)), respectively, and the next higher fundamental level of the C-N valence vibration v4=1 (945 wn). All these vibrational levels exhibit cubic and quartic anharmonic resonances localized to moderate values of the rotational quantum number K≤10. Therefore the system of rovibrational levels has to be treated as a global polyad in order to describe all the available data quantitatively. The ground state constants have been improved considerably by extending the assignments to higher J/K rotational states both in the purely rotational spectra recorded in the ground vibrational level and in the ground state combination differences generated from the wavenumbers assigned in the fundamental ν_4 band. Similarities and differences with respect to isoelectronic molecules CH_3CN and CH_3CCH are discussed.

Lower Arm Muscle Activation during Indirect-Localized Vibration: The Influence of Skill Levels When Applying Different Acceleration Loads.

PubMed

Padulo, Johnny; Di Giminiani, Riccardo; Dello Iacono, Antonio; Zagatto, Alessandro M; Migliaccio, Gian M; Grgantov, Zoran; Ardigò, Luca P

2016-01-01

We investigated the electromyographic response to synchronous indirect-localized vibration interventions in international and national table tennis players. Twenty-six male table tennis players, in a standing position, underwent firstly an upper arms maximal voluntary contraction and thereafter two different 30-s vibration interventions in random order: high acceleration load (peak acceleration = 12.8 g, frequency = 40 Hz; peak-to-peak displacement = 4.0 mm), and low acceleration load (peak acceleration = 7.2 g, frequency = 30 Hz, peak-to-peak displacement = 4.0 mm). Surface electromyography root mean square from brachioradialis, extensor digitorum, flexor carpi radialis, and flexor digitorum superficialis recorded during the two vibration interventions was normalized to the maximal voluntary contraction recording. Normalized surface electromyography root mean square was higher in international table tennis players with respect to national ones in all the interactions between muscles and vibration conditions (P < 0.05), with the exception of flexor carpi radialis (at low acceleration load, P > 0.05). The difference in normalized surface electromyography root mean square between international table tennis players and national ones increased in all the muscles with high acceleration load (P < 0.05), with the exception of flexor digitorum superficialis (P > 0.05). The muscle activation during indirect-localized vibration seems to be both skill level and muscle dependent. These results can optimize the training intervention in table tennis players when applying indirect-localized vibration to lower arm muscles. Future investigations should discriminate between middle- and long-term adaptations in response to specific vibration loads.

Lower Arm Muscle Activation during Indirect-Localized Vibration: The Influence of Skill Levels When Applying Different Acceleration Loads

PubMed Central

Padulo, Johnny; Di Giminiani, Riccardo; Dello Iacono, Antonio; Zagatto, Alessandro M.; Migliaccio, Gian M.; Grgantov, Zoran; Ardigò, Luca P.

2016-01-01

We investigated the electromyographic response to synchronous indirect-localized vibration interventions in international and national table tennis players. Twenty-six male table tennis players, in a standing position, underwent firstly an upper arms maximal voluntary contraction and thereafter two different 30-s vibration interventions in random order: high acceleration load (peak acceleration = 12.8 g, frequency = 40 Hz; peak-to-peak displacement = 4.0 mm), and low acceleration load (peak acceleration = 7.2 g, frequency = 30 Hz, peak-to-peak displacement = 4.0 mm). Surface electromyography root mean square from brachioradialis, extensor digitorum, flexor carpi radialis, and flexor digitorum superficialis recorded during the two vibration interventions was normalized to the maximal voluntary contraction recording. Normalized surface electromyography root mean square was higher in international table tennis players with respect to national ones in all the interactions between muscles and vibration conditions (P < 0.05), with the exception of flexor carpi radialis (at low acceleration load, P > 0.05). The difference in normalized surface electromyography root mean square between international table tennis players and national ones increased in all the muscles with high acceleration load (P < 0.05), with the exception of flexor digitorum superficialis (P > 0.05). The muscle activation during indirect-localized vibration seems to be both skill level and muscle dependent. These results can optimize the training intervention in table tennis players when applying indirect-localized vibration to lower arm muscles. Future investigations should discriminate between middle- and long-term adaptations in response to specific vibration loads. PMID:27378948

An examination of the vibration transmissibility of the hand-arm system in three orthogonal directions.

PubMed

Welcome, Daniel E; Dong, Ren G; Xu, Xueyan S; Warren, Christopher; McDowell, Thomas W; Wu, John Z

2015-02-01

The objective of this study is to enhance the understanding of the vibration transmission in the hand-arm system in three orthogonal directions ( X, Y , and Z ). For the first time, the transmitted vibrations distributed on the entire hand-arm system exposed in the three orthogonal directions via a 3-D vibration test system were measured using a 3-D laser vibrometer. Seven adult male subjects participated in the experiment. This study confirms that the vibration transmissibility generally decreased with the increase in distance from the hand and it varied with the vibration direction. Specifically, to the upper arm and shoulder, only moderate vibration transmission was measured in the test frequency range (16 to 500 Hz), and virtually no transmission was measured in the frequency range higher than 50 Hz. The resonance vibration on the forearm was primarily in the range of 16-30 Hz with the peak amplitude of approximately 1.5 times of the input vibration amplitude. The major resonance on the dorsal surfaces of the hand and wrist occurred at around 30-40 Hz and, in the Y direction, with peak amplitude of more than 2.5 times of the input amplitude. At higher than 50 Hz, vibration transmission was effectively limited to the hand and fingers. A major finger resonance was observed at around 100 Hz in the X and Y directions and around 200 Hz in the Z direction. In the fingers, the resonance magnitude in the Z direction was generally the lowest, and the resonance magnitude in the Y direction was generally the highest with the resonance amplitude of 3 times the input vibration, which was similar to the transmissibility at the wrist and hand dorsum. The implications of the results are discussed. Prolonged, intensive exposure to hand-transmitted vibration could result in hand-arm vibration syndrome. While the syndrome's precise mechanisms remain unclear, the characterization of the vibration transmissibility of the system in the three orthogonal dimensions performed in this study can help understand the syndrome and help develop improved frequency weightings for assessing the risk of the exposure for developing various components of the syndrome.

An examination of the vibration transmissibility of the hand-arm system in three orthogonal directions

PubMed Central

Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.; Wu, John Z.

2015-01-01

The objective of this study is to enhance the understanding of the vibration transmission in the hand-arm system in three orthogonal directions (X, Y, and Z). For the first time, the transmitted vibrations distributed on the entire hand-arm system exposed in the three orthogonal directions via a 3-D vibration test system were measured using a 3-D laser vibrometer. Seven adult male subjects participated in the experiment. This study confirms that the vibration transmissibility generally decreased with the increase in distance from the hand and it varied with the vibration direction. Specifically, to the upper arm and shoulder, only moderate vibration transmission was measured in the test frequency range (16 to 500 Hz), and virtually no transmission was measured in the frequency range higher than 50 Hz. The resonance vibration on the forearm was primarily in the range of 16–30 Hz with the peak amplitude of approximately 1.5 times of the input vibration amplitude. The major resonance on the dorsal surfaces of the hand and wrist occurred at around 30–40 Hz and, in the Y direction, with peak amplitude of more than 2.5 times of the input amplitude. At higher than 50 Hz, vibration transmission was effectively limited to the hand and fingers. A major finger resonance was observed at around 100 Hz in the X and Y directions and around 200 Hz in the Z direction. In the fingers, the resonance magnitude in the Z direction was generally the lowest, and the resonance magnitude in the Y direction was generally the highest with the resonance amplitude of 3 times the input vibration, which was similar to the transmissibility at the wrist and hand dorsum. The implications of the results are discussed. Relevance to industry Prolonged, intensive exposure to hand-transmitted vibration could result in hand-arm vibration syndrome. While the syndrome's precise mechanisms remain unclear, the characterization of the vibration transmissibility of the system in the three orthogonal dimensions performed in this study can help understand the syndrome and help develop improved frequency weightings for assessing the risk of the exposure for developing various components of the syndrome. PMID:26635424

On readout of vibrational qubits using quantum beats

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shyshlov, Dmytro; Babikov, Dmitri, E-mail: Dmitri.Babikov@mu.edu; Berrios, Eduardo

2014-12-14

Readout of the final states of qubits is a crucial step towards implementing quantum computation in experiment. Although not scalable to large numbers of qubits per molecule, computational studies show that molecular vibrations could provide a significant (factor 2–5 in the literature) increase in the number of qubits compared to two-level systems. In this theoretical work, we explore the process of readout from vibrational qubits in thiophosgene molecule, SCCl{sub 2}, using quantum beat oscillations. The quantum beats are measured by first exciting the superposition of the qubit-encoding vibrational states to the electronically excited readout state with variable time-delay pulses. Themore » resulting oscillation of population of the readout state is then detected as a function of time delay. In principle, fitting the quantum beat signal by an analytical expression should allow extracting the values of probability amplitudes and the relative phases of the vibrational qubit states. However, we found that if this procedure is implemented using the standard analytic expression for quantum beats, a non-negligible phase error is obtained. We discuss the origin and properties of this phase error, and propose a new analytical expression to correct the phase error. The corrected expression fits the quantum beat signal very accurately, which may permit reading out the final state of vibrational qubits in experiments by combining the analytic fitting expression with numerical modelling of the readout process. The new expression is also useful as a simple model for fitting any quantum beat experiments where more accurate phase information is desired.« less

A Subject-Specific Acoustic Model of the Upper Airway for Snoring Sounds Generation

PubMed Central

Saha, Shumit; Bradley, T. Douglas; Taheri, Mahsa; Moussavi, Zahra; Yadollahi, Azadeh

2016-01-01

Monitoring variations in the upper airway narrowing during sleep is invasive and expensive. Since snoring sounds are generated by air turbulence and vibrations of the upper airway due to its narrowing; snoring sounds may be used as a non-invasive technique to assess upper airway narrowing. Our goal was to develop a subject-specific acoustic model of the upper airway to investigate the impacts of upper airway anatomy, e.g. length, wall thickness and cross-sectional area, on snoring sounds features. To have a subject-specific model for snoring generation, we used measurements of the upper airway length, cross-sectional area and wall thickness from every individual to develop the model. To validate the proposed model, in 20 male individuals, intensity and resonant frequencies of modeled snoring sounds were compared with those measured from recorded snoring sounds during sleep. Based on both modeled and measured results, we found the only factor that may positively and significantly contribute to snoring intensity was narrowing in the upper airway. Furthermore, measured resonant frequencies of snoring were inversely correlated with the upper airway length, which is a risk factor for upper airway collapsibility. These results encourage the use of snoring sounds analysis to assess the upper airway anatomy during sleep. PMID:27210576

Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering.

PubMed

Ignatova, Nina; Cruz, Vinícius V; Couto, Rafael C; Ertan, Emelie; Zimin, Andrey; Guimarães, Freddy F; Polyutov, Sergey; Ågren, Hans; Kimberg, Victor; Odelius, Michael; Gel'mukhanov, Faris

2017-03-07

As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDO are delocalised in the bound core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow "canyon-like" shape of the potential of the state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state . The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate.

Vibrational excitation and dissociative attachment of a triatomic molecule: CO/sub 2/ in the collinear approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wong, C.F.; Light, J.C.

1986-02-01

The effective R-matrix model and the R-matrix propagative method applied earlier to elec- tron--diatomic-molecule scattering are extended to treat dissociative attachment of collinear triatomic molecules. To describe the vibrational excitation and dissociative attachment of CO/sub 2/ in the 4-eV region, the nuclear dynamics is solved on a Wall-Porter potential-energy surface. A hybrid approach is developed in which the L/sup 2/ and R-matrix propagation methods are combined to evaluate the global R matrix. Our calculations show that it is easier to excite the symmetric mode vibrations than the asymmetric mode vibrations. Our results also show that the observed structures in themore » energy dependence of the dissociative attachment cross sections are due to the vibrational states of the negative ion (CO/sub 2/ /sup -/) and not to the vibrational states of the CO fragment.« less

Detailed spectroscopy of 110Cd: Evidence for weak mixing and the emergence of γ-soft behavior

NASA Astrophysics Data System (ADS)

Garrett, P. E.; Bangay, J.; Diaz Varela, A.; Ball, G. C.; Cross, D. S.; Demand, G. A.; Finlay, P.; Garnsworthy, A. B.; Green, K. L.; Hackman, G.; Hannant, C. D.; Jigmeddorj, B.; Jolie, J.; Kulp, W. D.; Leach, K. G.; Orce, J. N.; Phillips, A. A.; Radich, A. J.; Rand, E. T.; Schumaker, M. A.; Svensson, C. E.; Sumithrarachchi, C.; Triambak, S.; Warr, N.; Wong, J.; Wood, J. L.; Yates, S. W.

2012-10-01

A study of the β+-electron capture decay of 110In into levels of 110Cd is combined with a reanalysis of data from a previous study of 110Cd with the (n,n'γ) reaction with monoenergetic neutrons. The γγ coincidences from the 110In decay leads to many new assignments of γ rays observed in the (n,n'γ) reaction, permitting the observation of weak low-energy transitions, and setting stringent upper limits on unobserved decay branches. The uncertainties on many of the lifetimes from the (n,n'γ) reaction are significantly reduced, and limits are established for the lifetimes of levels too long for a direct measurement. The absence of enhanced transitions between the previously assigned phonon states and the deformed intruder states strongly suggests that mixing between the configurations is generally weak, refuting the strong-mixing scenario as an explanation of the decay pattern of the excited 0+ states in 110Cd. The decay pattern of the nonintruder states is suggestive of a γ-soft rotor, or O(6) nucleus, rather than a vibrational, or U(5), pattern. The existence of a four-particle-six-hole proton excitation in 110Cd is also suggested.

Vibration-rotation alchemy in acetylene (12C2H2), ? at low vibrational excitation: from high resolution spectroscopy to fast intramolecular dynamics

NASA Astrophysics Data System (ADS)

Perry, David S.; Miller, Anthony; Amyay, Badr; Fayt, André; Herman, Michel

2010-04-01

The link between energy-resolved spectra and time-resolved dynamics is explored quantitatively for acetylene (12C2H2), ? with up to 8600 cm-1 of vibrational energy. This comparison is based on the extensive and reliable knowledge of the vibration-rotation energy levels and on the model Hamiltonian used to fit them to high precision [B. Amyay, S. Robert, M. Herman, A. Fayt, B. Raghavendra, A. Moudens, J. Thiévin, B. Rowe, and R. Georges, J. Chem. Phys. 131, 114301 (2009)]. Simulated intensity borrowing features in high resolution absorption spectra and predicted survival probabilities in intramolecular vibrational redistribution (IVR) are first investigated for the v 4 + v 5 and v 3 bright states, for J = 2, 30 and 100. The dependence of the results on the rotational quantum number and on the choice of vibrational bright state reflects the interplay of three kinds of off-diagonal resonances: anharmonic, rotational l-type, and Coriolis. The dynamical quantities used to characterize the calculated time-dependent dynamics are the dilution factor φ d, the IVR lifetime τ IVR , and the recurrence time τ rec. For the two bright states v 3 + 2v 4 and 7v 4, the collisionless dynamics for thermally averaged rotational distributions at T = 27, 270 and 500 K were calculated from the available spectroscopic data. For the 7v 4 bright state, an apparent irreversible decay of is found. In all cases, the model Hamiltonian allows a detailed calculation of the energy flow among all of the coupled zeroth-order vibration-rotation states.

Spatial patterns of cutaneous vibration during whole-hand haptic interactions

PubMed Central

Hayward, Vincent; Visell, Yon

2016-01-01

We investigated the propagation patterns of cutaneous vibration in the hand during interactions with touched objects. Prior research has highlighted the importance of vibrotactile signals during haptic interactions, but little is known of how vibrations propagate throughout the hand. Furthermore, the extent to which the patterns of vibrations reflect the nature of the objects that are touched, and how they are touched, is unknown. Using an apparatus comprised of an array of accelerometers, we mapped and analyzed spatial distributions of vibrations propagating in the skin of the dorsal region of the hand during active touch, grasping, and manipulation tasks. We found these spatial patterns of vibration to vary systematically with touch interactions and determined that it is possible to use these data to decode the modes of interaction with touched objects. The observed vibration patterns evolved rapidly in time, peaking in intensity within a few milliseconds, fading within 20–30 ms, and yielding interaction-dependent distributions of energy in frequency bands that span the range of vibrotactile sensitivity. These results are consistent with findings in perception research that indicate that vibrotactile information distributed throughout the hand can transmit information regarding explored and manipulated objects. The results may further clarify the role of distributed sensory resources in the perceptual recovery of object attributes during active touch, may guide the development of approaches to robotic sensing, and could have implications for the rehabilitation of the upper extremity. PMID:27035957

Hand-arm vibration in tropical rain forestry workers.

PubMed

Futatsuka, M; Inaoka, T; Ohtsuka, R; Sakurai, T; Moji, K; Igarashi, T

1995-01-01

Working conditions and health hazards including vibration syndrome related to forestry work using chain-saws were studied in Papua New Guinea and Indonesia. The subjects comprised 291 workers including 97 chain-saw operators. The health examination consisted of peripheral circulatory and sensory tests in the upper extremities. The vibration spectrum measured at the handle of the chain-saw indicated that these acceleration levels would lead to a moderately high risk of hand-arm vibration syndrome (HAVS). The peripheral circulatory function tests revealed dysfunction after more than five years vibration exposure. However, in general, the results of the function tests and subjective complaints showed fewer health problems compared to those of Japanese forestry workers. The reason of such differences of vibration effects seem to be the following: (1) warmer climate (more than 25 degrees C throughout the year), (2) young workers and short work experience. (3) short time vibration exposures on working days in the natural forests, (4) seasonal changes in logging work (5) healthy workers effects. Thus, we found no clear evidence that the workers of our study suffered from HAVS. A principal component analysis was applied. The factor score of the components of the reactive dynamics of peripheral circulation differed significantly after more than five years' exposure. On the other hand, we cannot deny the possibility that subclinical dysfunction of peripheral circulation may be caused by chain-saw operation in the tropics in future. Further investigations on the HAVS among forestry workers in the tropic environment are needed.

State-to-state time-of-flight measurements of NO scattering from Au(111): direct observation of translation-to-vibration coupling in electronically nonadiabatic energy transfer.

PubMed

Golibrzuch, Kai; Shirhatti, Pranav R; Altschäffel, Jan; Rahinov, Igor; Auerbach, Daniel J; Wodtke, Alec M; Bartels, Christof

2013-09-12

Translational motion is believed to be a spectator degree of freedom in electronically nonadiabatic vibrational energy transfer between molecules and metal surfaces, but the experimental evidence available to support this view is limited. In this work, we have experimentally determined the translational inelasticity in collisions of NO molecules with a single-crystal Au(111) surface-a system with strong electronic nonadiabaticity. State-to-state molecular beam surface scattering was combined with an IR-UV double resonance scheme to obtain high-resolution time-of-flight data. The measurements include vibrationally elastic collisions (v = 3→3, 2→2) as well as collisions where one or two quanta of molecular vibration are excited (2→3, 2→4) or de-excited (2→1, 3→2, 3→1). In addition, we have carried out comprehensive measurements of the effects of rotational excitation on the translational energy of the scattered molecules. We find that under all conditions of this work, the NO molecules lose a large fraction (∼0.45) of their incidence translational energy to the surface. Those molecules that undergo vibrational excitation (relaxation) during the collision recoil slightly slower (faster) than vibrationally elastically scattered molecules. The amount of translational energy change depends on the surface temperature. The translation-to-rotation coupling, which is well-known for v = 0→0 collisions, is found to be significantly weaker for vibrationally inelastic than elastic channels. Our results clearly show that the spectator view of the translational motion in electronically nonadiabatic vibrational energy transfer between NO and Au(111) is only approximately correct.

Effect of Moisture Sorption State on Vibrational Properties of Wood

Treesearch

Jianxiong Lu; Jiali Jiang; Yiqiang Wu; Xianjun Li; Zhiyong Cai

2012-01-01

The purpose of this study was to investigate the vibrational properties and corresponding anisotropicity in wood during different states of moisture sorption. Samples of maple (Acer spp.) and red oak (Quercus rubra Michx.f.) were moisture conditioned by the adsorption process from an ovendried state and by the desorption process...

Observation of double-well potential of NaH C 1Σ+ state: Deriving the dissociation energy of its ground state

NASA Astrophysics Data System (ADS)

Chu, Chia-Ching; Huang, Hsien-Yu; Whang, Thou-Jen; Tsai, Chin-Chun

2018-03-01

Vibrational levels (v = 6-42) of the NaH C 1Σ+ state including the inner and outer wells and the near-dissociation region were observed by pulsed optical-optical double resonance fluorescence depletion spectroscopy. The absolute vibrational quantum number is identified by comparing the vibrational energy difference of this experiment with the ab initio calculations. The outer well with v up to 34 is analyzed using the Dunham expansion and a Rydberg-Klein-Rees (RKR) potential energy curve is constructed. A hybrid double-well potential combined with the RKR potential, the ab initio calculation, and a long-range potential is able to describe the whole NaH C 1Σ+ state including the higher vibrational levels (v = 35-42). The dissociation energy of the NaH C 1Σ+ state is determined to be De(C) = 6595.10 ± 5 cm-1 and then the dissociation energy of the NaH ground state De(X) = 15 807.87 ± 5 cm-1 can be derived.

Vibrational and Nonadiabatic Coherence in 2D Electronic Spectroscopy, the Jahn-Teller Effect, and Energy Transfer

NASA Astrophysics Data System (ADS)

Jonas, David M.

2018-04-01

Femtosecond two-dimensional (2D) Fourier transform spectroscopy generates and probes several types of coherence that characterize the couplings between vibrational and electronic motions. These couplings have been studied in molecules with Jahn-Teller conical intersections, pseudo-Jahn-Teller funnels, dimers, molecular aggregates, photosynthetic light harvesting complexes, and photosynthetic reaction centers. All have closely related Hamiltonians and at least two types of vibrations, including one that is decoupled from the electronic dynamics and one that is nonadiabatically coupled. Polarized pulse sequences can often be used to distinguish these types of vibrations. Electronic coherences are rapidly obscured by inhomogeneous dephasing. The longest-lived coherences in these systems arise from delocalized vibrations on the ground electronic state that are enhanced by a nonadiabatic Raman excitation process. These characterize the initial excited-state dynamics. 2D oscillation maps are beginning to isolate the medium lifetime vibronic coherences that report on subsequent stages of the excited-state dynamics.

Vibrational inelastic and charge transfer processes in H++H2 system: An ab initio study

NASA Astrophysics Data System (ADS)

Amaran, Saieswari; Kumar, Sanjay

2007-12-01

State-resolved differential cross sections, total and integral cross sections, average vibrational energy transfer, and the relative probabilities are computed for the H++H2 system using the newly obtained ab initio potential energy surfaces at the full CI/cc-pVQZ level of accuracy which allow for both the direct vibrational inelastic and the charge transfer processes. The quantum dynamics is treated within the vibrational close-coupling infinite-order-sudden approximation approach using the two ab initio quasidiabatic potential energy surfaces. The computed collision attributes for both the processes are compared with the available state-to-state scattering experiments at Ec.m.=20eV. The results are in overall good agreement with most of the observed scattering features such as rainbow positions, integral cross sections, and relative vibrational energy transfers. A comparison with the earlier theoretical study carried out on the semiempirical surfaces (diatomics in molecules) is also made to illustrate the reliability of the potential energy surfaces used in the present work.

Relaxation of Vibrationally Excited States in Solid Binary Carbonate-Sulfate Systems

NASA Astrophysics Data System (ADS)

Aliev, A. R.; Akhmedov, I. R.; Kakagasanov, M. G.; Aliev, Z. A.; Gafurov, M. M.; Rabadanov, K. Sh.; Amirov, A. M.

2018-02-01

The processes of molecular relaxation in solid binary carbonate-sulfate systems, such as Li2CO3-Li2SO4, Na2CO3-Na2SO4, K2CO3-K2SO4, have been studied by Raman spectroscopy. It has been revealed that the relaxation time of CO 3 2- anion vibration ν1(A) in a binary system is higher than in an individual carbonate. It is shown that an increase in the relaxation rate may be explained by the existence of an additional mechanism of the relaxation of vibrationally excited states of a carbonate anion. This mechanism is associated with the excitation of the vibration of another anion (SO 4 2- ) and the "birth" of a lattice phonon. It has been established that the condition for the implementation of such a relaxation mechanism is that the difference between the frequencies of these vibrations must correspond to the region of a rather high density of phonon spectrum states.

Vibrational population of the A super 3 sigma sub u/+/ and B super 3 pi sub g states of N2 in normal auroras.

NASA Technical Reports Server (NTRS)

Cartwright, D. C.; Trajmar, S.; Williams, W.

1971-01-01

Use of new electron impact excitation cross sections for the six lowest triplet states (A, B, W, C, E, D) of N2, and solution of the coupled equations of statistical equilibrium to obtain the vibrational population of each electronic state. The results show that cascade from high levels of the A super 3 sigma sub u(+) state and from the W super 3 delta sub u state is significant in populating the lower vibrational levels of the B state and hence the character of its ?apparent' excitation cross sections. For the B state excited under auroral conditions, the fraction of the total population due to cascade processes exceeds 25% for all levels lower than 7 and is greater than 80% for B(v' = 0). For the A state under similar conditions, cascade from the B state contributes 50% or more of the total vibrational population for levels lower than 7, and 80% or more for levels below 4. For levels of the A state greater than 7, the A yields B transitions depopulate the levels rapidly and indicate that the Vegard-Kaplan emissions from these higher levels will be weak or totally absent in normal auroras.

Coherent Nuclear Wave Packets in Q States by Ultrafast Internal Conversions in Free Base Tetraphenylporphyrin.

PubMed

Kim, So Young; Joo, Taiha

2015-08-06

Persistence of vibrational coherence in electronic transition has been noted especially in biochemical systems. Here, we report the dynamics between electronic excited states in free base tetraphenylporphyrin (H2TPP) by time-resolved fluorescence with high time resolution. Following the photoexcitation of the B state, ultrafast internal conversion occurs to the Qx state directly as well as via the Qy state. Unique and distinct coherent nuclear wave packet motions in the Qx and Qy states are observed through the modulation of the fluorescence intensity in time. The instant, serial internal conversions from the B to the Qy and Qx states generate the coherent wave packets. Theory and experiment show that the observed vibrational modes involve the out-of-plane vibrations of the porphyrin ring that are strongly coupled to the internal conversion of H2TPP.

From photoelectron detachment spectra of BrHBr{sup −}, BrDBr{sup −} and IHI{sup −}, IDI{sup −} to vibrational bonding of BrMuBr and IMuI

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manz, Jörn; Freie Universität Berlin, Institut für Chemie und Biochemie, 14195 Berlin; Sato, Kazuma

2015-04-28

Photoelectron detachment XLX{sup −}(00{sup 0}0) + hν → XLX(vib) + e{sup −} + KER (X = Br or I, L = H or D) at sufficiently low temperatures photoionizes linear dihalogen anions XLX{sup −} in the vibrational ground state (v{sub 1}v{sub 2}{sup l}v{sub 3} = 00{sup 0}0) and prepares the neutral radicals XLX(vib) in vibrational states (vib). At the same time, part of the photon energy (hν) is converted into kinetic energy release (KER) of the electron [R. B. Metz, S. E. Bradforth, and D. M. Neumark, Adv. Chem. Phys. 81, 1 (1992)]. The process may be described approximately inmore » terms of a Franck-Condon type transfer of the vibrational wavefunction representing XLX{sup −}(00{sup 0}0) from the domain close to the minimum of its potential energy surface (PES) to the domain close to the linear transition state of the PES of the neutral XLX. As a consequence, prominent peaks of the photoelectron detachment spectra (pds) correlate with the vibrational energies E{sub XLX,vib} of states XLX(vib) which are centered at linear transition state. The corresponding vibrational quantum numbers may be labeled vib = (v{sub 1}v{sub 2}{sup l}v{sub 3}) = (00{sup 0}v{sub 3}). Accordingly, the related most prominent peaks in the pds are labeled v{sub 3}. We construct a model PES which mimics the “true” PES in the domain of transition state such that it supports vibrational states with energies E{sub XLX,pds,00{sup 0}v{sub 3}} close to the peaks of the pds labeled v{sub 3} = 0, 2, and 4. Subsequently, the same model PES is also used to calculate approximate values of the energies E{sub XMuX,00{sup 0}0} of the isotopomers XMuX(00{sup 0}0). For the heavy isotopomers XHX and XDX, it turns out that all energies E{sub XLX,00{sup 0}v{sub 3}} are above the threshold for dissociation, which means that all heavy XLX(00{sup 0}v{sub 3}) with wavefunctions centered at the transition state are unstable resonances with finite lifetimes. Turning the table, bound states of the heavy XLX are van der Waals (vdW) bonded. In contrast, the energies E{sub XMuX,00{sup 0}0} of the light isotopomers XMuX(00{sup 0}0) are below the threshold for dissociation, with wavefunctions centered at the transition state. This means that XMuX(00{sup 0}0) are vibrationally bonded. This implies a fundamental change of the nature of chemical bonding, from vdW bonding of the heavy XHX, XDX to vibrational bonding of XMuX. For BrMuBr, the present results derived from experimental pds of BrHBr{sup −} and BrDBr{sup −} confirm the recent discovery of vibrational bonding based on quantum chemical ab initio calculations [D. G. Fleming, J. Manz, K. Sato, and T. Takayanagi, Angew. Chem., Int. Ed. 53, 13706 (2014)]. The extension from BrLBr to ILI means the discovery of a new example of vibrational bonding. These empirical results for the vibrational bonding of IMuI, derived from the photoelectron spectra of IHI{sup −} and IDI{sup −}, are supported by ab initio simulations of the spectra and of the wavefunction representing vibrational bonding of IMuI.« less

O2(a1Δ) vibrational kinetics in oxygen-iodine laser

NASA Astrophysics Data System (ADS)

Torbin, A. P.; Pershin, A. A.; Heaven, M. C.; Azyazov, V. N.; Mebel, A. M.

2018-04-01

Kinetics of vibrationally-excited singlet oxygen O2(a1Δ,ν) in gas mixture O3/N2/CO2 was studied using a pulse laser technique. Molecules O2(a1Δ,ν) were produced by laser photolysis of ozone at 266 nm. The O3 molecules number density was followed using time-resolved absorption spectroscopy. It was found that an upper bound for the rate constant of chemical reaction O2(a1Δ,ν)+ O3 is about 10-15 cm3/s. The rate constants of O2(a1Δ,ν= 1, 2 and 3) quenching by CO2 are presented.

Magnetic Fields Can Control Heat and Sound

DTIC Science & Technology

2015-03-23

solids. When we talk to each other, the vocal chords of the speaker vibrate , causing the air coming from his lungs to vibrate as well. This creates...Physics, and Materials Science & Engineering at The Ohio State University Sound is carried by periodic vibrations of atoms in gases, liquids and...sound waves, which then propagate through the air until they hit a listener’s eardrums and make them vibrate as well. From these vibrations , the listener

International Workshop on Vibration Isolation Technology for Microgravity Science Applications

NASA Technical Reports Server (NTRS)

Lubomski, Joseph F. (Editor)

1992-01-01

The International Workshop on Vibration Isolation Technology for Microgravity Science Applications was held on April 23-25, 1991 at the Holiday Inn in Middleburg Heights, Ohio. The main objective of the conference was to explore vibration isolation requirements of space experiments and what level of vibration isolation could be provided both by present and planned systems on the Space Shuttle and Space Station Freedom and by state of the art vibration isolation technology.

a Study of the Role of Large-Amplitude Motions in Unimolecular Energy Transfer Using Molecular Beam Optothermal Spectroscopy.

NASA Astrophysics Data System (ADS)

Miller, Carl Cameron

1995-01-01

The role of molecular structure in energy transfer reactions in the ground and excited electronic states was explored using optothermal spectroscopy. In the ground state, the relationship between intramolecular van der Waals interactions and vibrational mode coupling was explored in a homologous series of disubstituted ethanes, including Gg^' -2-fluoroethanol, g-1,2-difluoroethane, g-1-chloro-2-fluoroethane, t-1-chloro-2-fluoroethane, and 1,1,2-trifluoroethane. This series of substituted ethanes varies in degree of van der Waals interactions that hinder internal rotation about the C-C bond. High resolution infrared molecular beam spectroscopy was used to determine the extent of vibrational mode coupling. Perturbations in the rotational structure of these molecules provided a measure of vibrational mode coupling. We have observed that the degree of intramolecular interaction, which is dependent on the van der Waals separation of the substituents and the shape of the potential well, correlates with the extent of vibrational mode coupling. The extent of vibrational mode coupling in this series of molecules did not correlate with the density of states available for coupling. Therefore, density of states alone is insufficient to explain the observed trend. In the excited electronic state, optothermal detection has been used to observe non-radiative relaxation channels in aniline, p-bromoaniline and trans-stilbene. p-Bromoaniline has no detectable fluorescence due to a heavy atom effect which increases the rate of intersystem crossing to the triplet state. An optothermal spectrum of p-bromoaniline was observed with the origin at 32625 cm^ {-1}. For trans-stilbene the differences between the laser excitation spectrum and the optothermal spectrum of the S_1 state clearly show the onset of isomerization at ~1250 cm^{-1} above the origin. Absolute quantum yields of fluorescence, Frank-Condon factors, non -radiative rates, and radiative rates have been obtained for a series of vibronic transitions. For low energy vibrational states there is good agreement between the current study and previous work. For vibrational energies above the barrier of isomerization predicted quantum yields do not agree with our experimental results.

Continuous-variable entanglement and quantum-state teleportation between optical and macroscopic vibrational modes through radiation pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pirandola, Stefano; Mancini, Stefano; Vitali, David

2003-12-01

We study an isolated, perfectly reflecting, mirror illuminated by an intense laser pulse. We show that the resulting radiation pressure efficiently entangles a mirror vibrational mode with the two reflected optical sideband modes of the incident carrier beam. The entanglement of the resulting three-mode state is studied in detail and it is shown to be robust against the mirror mode temperature. We then show how this continuous-variable entanglement can be profitably used to teleport an unknown quantum state of an optical mode onto the vibrational mode of the mirror.

Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach

NASA Astrophysics Data System (ADS)

Lapierre, David; Alijah, Alexander; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir

2016-10-01

Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of O163 were determined using a previously developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently computed potential energy surface of ozone determined with a spectroscopic accuracy [Tyuterev et al., J. Chem. Phys. 139, 134307 (2013), 10.1063/1.4821638]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O3 is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational (J =0 ) levels of O163 and O183, both made of bosons with zero nuclear spin, cannot dissociate on the ground-state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue O163 with rotational angular momentum J =0 and 1 up to the dissociation threshold were also computed. For bound levels, good agreement with experimental energies is found: The rms deviation between observed and calculated vibrational energies is 1 cm-1. Rotational constants were determined and used for a simple identification of vibrational modes of calculated levels.

High resolution photoelectron imaging of UO{sup −} and UO{sub 2}{sup −} and the low-lying electronic states and vibrational frequencies of UO and UO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Czekner, Joseph; Lopez, Gary V.; Wang, Lai-Sheng

2014-12-28

We report a study of the electronic and vibrational structures of the gaseous uranium monoxide and dioxide molecules using high-resolution photoelectron imaging. Vibrationally resolved photoelectron spectra are obtained for both UO{sup −} and UO{sub 2}{sup −}. The spectra for UO{sub 2}{sup −} are consistent with, but much better resolved than a recent study using a magnetic-bottle photoelectron analyzer [W. L. Li et al., J. Chem. Phys. 140, 094306 (2014)]. The electron affinity (EA) of UO is reported for the first time as 1.1407(7) eV, whereas a much more accurate EA is obtained for UO{sub 2} as 1.1688(6) eV. The symmetricmore » stretching modes for the neutral and anionic ground states, and two neutral excited states for UO{sub 2} are observed, as well as the bending mode for the neutral ground state. These vibrational frequencies are consistent with previous experimental and theoretical results. The stretching vibrational modes for the ground state and one excited state are observed for UO. The current results for UO and UO{sub 2} are compared with previous theoretical calculations including relativistic effects and spin-orbit coupling. The accurate experimental data reported here provide more stringent tests for future theoretical methods for actinide-containing species.« less

Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl(2P) + NH3 reaction.

PubMed

Monge-Palacios, M; Corchado, J C; Espinosa-Garcia, J

2012-05-28

A detailed state-to-state dynamics study was performed to analyze the effects of vibrational excitation and translational energy on the dynamics of the Cl((2)P) + NH(3)(v) gas-phase reaction, effects which are connected to such issues as mode selectivity and Polanyi's rules. This reaction evolves along two deep wells in the entry and exit channels. At low and high collision energies quasi-classical trajectory calculations were performed on an analytical potential energy surface previously developed by our group, together with a simplified model surface in which the reactant well is removed to analyze the influence of this well. While at high energy the independent vibrational excitation of all NH(3)(v) modes increases the reactivity by a factor ≈1.1-2.9 with respect to the vibrational ground-state, at low energy the opposite behaviour is found (factor ≈ 0.4-0.9). However, when the simplified model surface is used at low energy the independent vibrational excitation of all NH(3)(v) modes increases the reactivity, showing that the behaviour at low energies is a direct consequence of the existence of the reactant well. Moreover, we find that this reaction exhibits negligible mode selectivity, first because the independent excitation of the N-H symmetric and asymmetric stretch modes, which lie within 200 cm(-1) of each other, leads to reactions with similar reaction probabilities, and second because the vibrational excitation of the reactive N-H stretch mode is only partially retained in the products. For this "late transition-state" reaction, we also find that vibrational energy is more effective in driving the reaction than an equivalent amount of energy in translation, consistent with an extension of Polanyi's rules. Finally, we find that the non-reactive events, Cl((2)P)+NH(3)(v) → Cl((2)P) + NH(3)(v'), lead to a great number of populated vibrational states in the NH(3)(v') product, even starting from the NH(3)(v = 0) vibrational ground state at low energies, which is unphysical in a quantum world. This result is interpreted on the basis of non-conservation of the ZPE per mode.

Effects of different magnitudes of whole-body vibration on arm muscular performance.

PubMed

Marín, Pedro J; Herrero, Azael J; Sáinz, Nuria; Rhea, Matthew R; García-López, David

2010-09-01

The purpose of this study was to analyze the effects of different vibration magnitudes via feet on the number of repetitions performed, mean velocity, and perceived exertion during a set of elbow-extension exercise to failure (70% 1 repetition maximum [1RM] load). Twenty recreationally active students (14 men and 6 women) performed, in 3 different days, 1 elbow-extension set applying randomly 1 of the 3 experimental conditions: high magnitude (HM; 50 Hz and 2.51 mmp-p; 98.55 mxs-2), low magnitude (LM; 30 Hz and 1.15 mmp-p; 20.44 m.s-2) or control (Control, without vibration stimulus). Results indicate that the vibration via feet provides superimposed stimuli for elbow-extensor performance, enhancing the total number of repetitions performed in the HM and LM conditions, which was significantly higher (p

Solvent effect on the vibrational spectra of Carvedilol.

PubMed

Billes, Ferenc; Pataki, Hajnalka; Unsalan, Ozan; Mikosch, Hans; Vajna, Balázs; Marosi, György

2012-09-01

Carvedilol (CRV) is an important medicament for heart arrhythmia. The aim of this work was the interpretation of its vibrational spectra with consideration on the solvent effect. Infrared and Raman spectra were recorded in solid state as well in solution. The experimental spectra were evaluated using DFT quantum chemical calculations computing the optimized structure, atomic net charges, vibrational frequencies and force constants. The same calculations were done for the molecule in DMSO and aqueous solutions applying the PCM method. The calculated force constants were scaled to the experimentally observed solid state frequencies. The characters of the vibrational modes were determined by their potential energy distributions. Solvent effects on the molecular properties were interpreted. Based on these results vibrational spectra were simulated. Copyright © 2012 Elsevier B.V. All rights reserved.

Tunneling Splittings in Vibronic Structure of CH_3F^+ ( X^2E): Studied by High Resolution Photoelectron Spectra and AB Initio Theoretical Method

NASA Astrophysics Data System (ADS)

Mo, Yuxiang; Gao, Shuming; Dai, Zuyang; Li, Hua

2013-06-01

We report a combined experimental and theoretical study on the vibronic structure of CH_3F^+. The results show that the tunneling splittings of vibrational energy levels occur in CH_3F^+ due to the Jahn-Teller effect. Experimentally, we have measured a high resolution ZEKE spectrum of CH_3F up to 3500 cm^-^1 above the ground state. Theoretically, we performed an ab initio calculation based on the diabatic model. The adiabatic potential energy surfaces (APES) of CH_3F^+ have been calculated at the MRCI/CAS/avq(t)z level and expressed by Taylor expansions with normal coordinates as variables. The energy gradients for the lower and upper APES, the derivative couplings between them and also the energies of the APES have been used to determine the coefficients in the Taylor expansion. The spin-vibronic energy levels have been calculated by accounting all six vibrational modes and their couplings. The experimental ZEKE spectra were assigned based on the theoretical calculations. W. Domcke, D. R. Yarkony, and H. Köpple (Eds.), Conical Intersections: Eletronic Structure, Dynamics and Spectroscopy (World Scientific, Singapore, 2004). M. S. Schuurman, D. E. Weinberg, and D. R. Yarkony, J. Chem. Phys. 127, 104309 (2007).

Particle kinetic simulation of high altitude hypervelocity flight

NASA Technical Reports Server (NTRS)

Boyd, Iain; Haas, Brian L.

1994-01-01

Rarefied flows about hypersonic vehicles entering the upper atmosphere or through nozzles expanding into a near vacuum may only be simulated accurately with a direct simulation Monte Carlo (DSMC) method. Under this grant, researchers enhanced the models employed in the DSMC method and performed simulations in support of existing NASA projects or missions. DSMC models were developed and validated for simulating rotational, vibrational, and chemical relaxation in high-temperature flows, including effects of quantized anharmonic oscillators and temperature-dependent relaxation rates. State-of-the-art advancements were made in simulating coupled vibration-dissociation recombination for post-shock flows. Models were also developed to compute vehicle surface temperatures directly in the code rather than requiring isothermal estimates. These codes were instrumental in simulating aerobraking of NASA's Magellan spacecraft during orbital maneuvers to assess heat transfer and aerodynamic properties of the delicate satellite. NASA also depended upon simulations of entry of the Galileo probe into the atmosphere of Jupiter to provide drag and flow field information essential for accurate interpretation of an onboard experiment. Finally, the codes have been used extensively to simulate expanding nozzle flows in low-power thrusters in support of propulsion activities at NASA-Lewis. Detailed comparisons between continuum calculations and DSMC results helped to quantify the limitations of continuum CFD codes in rarefied applications.

Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I

NASA Astrophysics Data System (ADS)

Takahashi, Masae; Ishikawa, Yoichi

2013-06-01

We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.

Slide Conveying of Granular Materials-Thinking Out of the Glovebox

NASA Technical Reports Server (NTRS)

Goddard, J. D.; Didwania, A. K.; Nott, P. R.

2000-01-01

The vibratory conveyor, routinely employed for normal-gravity transport of granular materials, usually consists of a continuous open trough vibrated sinusoidally to induce axial movement of a granular material. Motivated in part by a hypothetical application in zero gravity, we propose a novel modification of the vibratory conveyor based on a closed 2d trough operating in a "slide-conveying" mode, with the granular mass remaining permanently in contact with the trough walls. We present a detailed analysis of the mechanics of transport, based on a rigid-slab model for the granular mass with frictional (Coulomb) slip at the upper and lower walls. The form of the vibration cycle plays a crucial role, and the optimal conveying cycle is not the commonly assumed rectilinear sinusoidal motion. The conveying efficiency for the novel slide conveyor will be presented for several simple vibration cycles, including one believed to represent the theoretical optimum.

Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: an ab initio study of time-resolved photoelectron spectra.

PubMed

do N Varella, Márcio T; Arasaki, Yasuki; Ushiyama, Hiroshi; Takatsuka, Kazuo; Wang, Kwanghsi; McKoy, Vincent

2007-02-07

The authors report on studies of time-resolved photoelectron spectra of intramolecular proton transfer in the ground state of chloromalonaldehyde, employing ab initio photoionization matrix elements and effective potential surfaces of reduced dimensionality, wherein the couplings of proton motion to the other molecular vibrational modes are embedded by averaging over classical trajectories. In the simulations, population is transferred from the vibrational ground state to vibrationally hot wave packets by pumping to an excited electronic state and dumping with a time-delayed pulse. These pump-dump-probe simulations demonstrate that the time-resolved photoelectron spectra track proton transfer in the electronic ground state well and, furthermore, that the geometry dependence of the matrix elements enhances the tracking compared with signals obtained with the Condon approximation. Photoelectron kinetic energy distributions arising from wave packets localized in different basins are also distinguishable and could be understood, as expected, on the basis of the strength of the optical couplings in different regions of the ground state potential surface and the Franck-Condon overlaps of the ground state wave packets with the vibrational eigenstates of the ion potential surface.

K-mixing in the doubly mid-shell nuclide 170Dy and the role of vibrational degeneracy

NASA Astrophysics Data System (ADS)

Söderström, P.-A.; Walker, P. M.; Wu, J.; Liu, H. L.; Regan, P. H.; Watanabe, H.; Doornenbal, P.; Korkulu, Z.; Lee, P.; Liu, J. J.; Lorusso, G.; Nishimura, S.; Phong, V. H.; Sumikama, T.; Xu, F. R.; Yagi, A.; Zhang, G. X.; Ahn, D. S.; Alharbi, T.; Baba, H.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chae, K. Y.; Dombradi, Zs.; Estrade, A.; Fukuda, N.; Griffin, C. J.; Ideguchi, E.; Inabe, N.; Isobe, T.; Kanaoka, H.; Kanaya, S.; Kojouharov, I.; Kondev, F. G.; Kubo, T.; Kubono, S.; Kurz, N.; Kuti, I.; Lalkovski, S.; Lane, G. J.; Lee, E. J.; Lee, C. S.; Lotay, G.; Moon, C.-B.; Nishizuka, I.; Niţă, C. R.; Odahara, A.; Patel, Z.; Podolyák, Zs.; Roberts, O. J.; Sakurai, H.; Schaffner, H.; Shand, C. M.; Suzuki, H.; Takeda, H.; Terashima, S.; Vajta, Zs.; Valiente-Dòbon, J. J.; Xu, Z. Y.

2016-11-01

A detailed study of the structure of the doubly mid-shell nucleus 104 1 66 170 Dy has been carried out, following isomeric and β decay. We have measured the yrast band up to the spin-parity Jπ =6+ state, the K = 2γ-vibration band up to the 5+ state, a low-lying negative-parity band based on a 2- state that could be a candidate for the lowest energy octupole vibration state within this nucleus, and a candidate for the Kπ =6+ two quasi-particle isomer. This state was determined to have an excitation energy of 1643.91(23) keV and a half life of 0.99(4) μs, with a reduced hindrance for its decay to the ground-state band an order of magnitude lower than predicted by NpNn systematics. This is interpreted as being due to γ-vibrational mixing from a near degeneracy of the isomer and the 6+ state of the γ band. Furthermore, the parent nucleus 170Tb has been determined to have a half-life of 0.91 (+18-13) s with a possible spin-parity of 2-.

Observations of the high vibrational levels of the B ' ' B ¯ 1 Σu + state of H2

NASA Astrophysics Data System (ADS)

Chartrand, A. M.; Duan, W.; Ekey, R. C.; McCormack, E. F.

2016-01-01

Double-resonance laser spectroscopy via the E F 1 Σg + , v ' = 6 , J ' = 0 -2 state was used to probe the high vibrational levels of the B ' ' B ¯ 1 Σu + state of molecular hydrogen. Resonantly enhanced multiphoton ionization spectra were recorded by detecting ion production as a function of energy using a time of flight mass spectrometer. New measurements of energies for the v = 51-66 levels for the B ' ' B ¯ state of H2 are reported, which, taken with previous results, span the v = 46-69 vibrational levels. Results for energy levels are compared to theoretical close-coupled calculations [L. Wolniewicz, T. Orlikowski, and G. Staszewska, J. Mol. Spectrosc. 238, 118-126 (2006)]. The average difference between the 84 measured energies and calculated energies is -3.8 cm-1 with a standard deviation of 5.3 cm-1. This level of agreement showcases the success of the theoretical calculations in accounting for the strong rovibronic mixing of the 1 Σu + and 1 Πu + states. Due to the ion-pair character of the outer well, the observed energies of the vibrational levels below the third dissociation limit smoothly connect with previously observed energies of ion-pair states above this limit. The results provide an opportunity for testing a heavy Rydberg multi-channel quantum defect analysis of the high vibrational states below the third dissociation limit.

Design and application of an electromagnetic vibrator seismic source

USGS Publications Warehouse

Haines, S.S.

2006-01-01

Vibrational seismic sources frequently provide a higher-frequency seismic wavelet (and therefore better resolution) than other sources, and can provide a superior signal-to-noise ratio in many settings. However, they are often prohibitively expensive for lower-budget shallow surveys. In order to address this problem, I designed and built a simple but effective vibrator source for about one thousand dollars. The "EMvibe" is an inexpensive electromagnetic vibrator that can be built with easy-to-machine parts and off-the-shelf electronics. It can repeatably produce pulse and frequency-sweep signals in the range of 5 to 650 Hz, and provides sufficient energy for recording at offsets up to 20 m. Analysis of frequency spectra show that the EMvibe provides a broader frequency range than the sledgehammer at offsets up to ??? 10 m in data collected at a site with soft sediments in the upper several meters. The EMvibe offers a high-resolution alternative to the sledgehammer for shallow surveys. It is well-suited to teaching applications, and to surveys requiring a precisely-repeatable source signature.

Study on vibration characteristics of the shaft system for a dredging pump based on FEM

NASA Astrophysics Data System (ADS)

Zhai, L. M.; Qin, L.; Liu, C. Y.; Liu, X.; He, L. Y.; He, Y.; Wang, Z. W.

2012-11-01

The dynamic characteristics of the shaft system for a dredging pump were studied with the Finite Element Method (FEM) by SAMCEF ROTOR. At first, the influence of the fluid-solid coupling interaction of mud water and impeller, water sealing and pump shaft on the lateral critical speeds were analyzed. The results indicated that the mud water must be taken into consideration, while the water sealing need not to. Then the effects of radial and thrust rolling bearings on the lateral critical speeds were discussed, which shows that the radial bearing close to the impeller has greatest impact on the 1st order critical speed. At last, the upper and lower limits of the critical speeds of lateral, axial and torsional vibration were calculated. The rated speed of the dredging pump was far less than the predicted critical speed, which can ensure the safe operation of the unit. Each vibration mode is also shown in this paper. This dynamic analysis method offers some reference value on the research of vibration and stability of the shaft system in dredging pump.

Analytical and experimental study of the vibration of bonded beams with a lap joint

NASA Technical Reports Server (NTRS)

Rao, M. D.; Crocker, M. J.

1990-01-01

A theoretical model to study the flexural vibration of a bonded lap joint system is described in this paper. First, equations of motion at the joint region are derived using a differential element approach. The transverse displacements of the upper and lower beam are considered to be different. The adhesive is assumed to be linearly viscoelastic and the widely used Kelvin-Voight model is used to represent the viscoelastic behavior of the adhesive. The shear force at the interface between the adhesive and the beam is obtained from the simple bending motion equations of the two beams. The resulting equations of motion are combined with the equations of transverse vibration of the beams in the unjointed regions. These are later solved as a boundary value problem to obtain the eigenvalues and eigenvectors of the system. The model can be used to predict the natural frequencies, modal damping ratios, and mode shapes of the system for free vibration. Good agreement between numerical and experimental results was obtained for a system of graphite epoxy beams lap-jointed by an epoxy adhesive.

A Study of Rovibrational H2O, OH, and CO emission from the Herbig Ae/Be star HD 250550

NASA Astrophysics Data System (ADS)

Leiendecker, Harrison; Brittain, Sean; Jensen, Stanley; Najita, Joan R.; Carr, John S.

2018-01-01

We present high-resolution spectroscopy (R∼75,000) of the Herbig Ae/Be star HD 250550. The L-band spectroscopy was obtained with the infrared echelle spectrograph (iSHELL) from The NASA Infrared Telescope Facility. We will describe the performance of the instrument and compare the CO and OH emission and upper limit on H2O emission to other Herbig Ae/Be stars. Specifically, L-band observationsof the ro-vibrational OH emission from the disk surrounding HD 250550 is compared to emission properties of the sources studied by Brittain et al. (2016). The OH 2Π3/2 P4.5 (1+,1-) doublet and the P5.5 (1+) line are spectrally resolved and have the same spectral profile as the CO ro-vibrational lines indicating that they arise from the same emitting region of the disk. The relative fluxes of the ro-vibrational lines from CO indicate that the rotational temperature of the gas is 1060 ± 115 K. The relative fluxes of the ro-vibrational lines from OH are consistent with this temperature.

Short-range photoassociation of LiRb

NASA Astrophysics Data System (ADS)

Blasing, David; Stevenson, Ian; Pérez-Ríos, Jesús; Elliott, Daniel; Chen, Yong

2017-04-01

We have observed short-range photoassociation of 7Li85Rb to the two lowest vibrational states of the d3 Π potential. We have also observed several a3Σ+ vibrational levels with generation rates between 102 and 103 molecules per second, resulting from the spontaneous decay of these d3 Π molecules. This is the first observation of many of these a3Σ+ levels. We observe an alternation of the peak heights in the rotational photoassociation spectrum that depends on the parity of the excited molecular state. Franck-Condon overlap calculations predict that photoassociation to higher vibrational levels of the d3 Π , in particular the sixth vibrational level, should populate the lowest vibrational level of the a3Σ+ state with a rate as high as 104 molecules per second. This work also motivates an experimental search for short-range photoassociation to other bound molecules, such as the c3Σ+ or b3 Π , as prospects for preparing ground-state molecules. The experimental work was funded by the Purdue Office of the Vice President for Research AMO Incentive Grant 206732 and J.P.-R. acknowledges support from NSF Grant No. PHY-130690.

Variational study on the vibrational level structure and vibrational level mixing of highly vibrationally excited S₀ D₂CO.

PubMed

Rashev, Svetoslav; Moule, David C; Rashev, Vladimir

2012-11-01

We perform converged high precision variational calculations to determine the frequencies of a large number of vibrational levels in S(0) D(2)CO, extending from low to very high excess vibrational energies. For the calculations we use our specific vibrational method (recently employed for studies on H(2)CO), consisting of a combination of a search/selection algorithm and a Lanczos iteration procedure. Using the same method we perform large scale converged calculations on the vibrational level spectral structure and fragmentation at selected highly excited overtone states, up to excess vibrational energies of ∼17,000 cm(-1), in order to study the characteristics of intramolecular vibrational redistribution (IVR), vibrational level density and mode selectivity. Copyright © 2012 Elsevier B.V. All rights reserved.

Localization and anharmonicity of the vibrational modes for GC Watson-Crick and Hoogsteen base pairs.

PubMed

Bende, Attila; Bogdan, Diana; Muntean, Cristina M; Morari, Cristian

2011-12-01

We present an ab initio study of the vibrational properties of cytosine and guanine in the Watson-Crick and Hoogsteen base pair configurations. The results are obtained by using two different implementations of the DFT method. We assign the vibrational frequencies to cytosine or to guanine using the vibrational density of states. Next, we investigate the importance of anharmonic corrections for the vibrational modes. In particular, the unusual anharmonic effect of the H(+) vibration in the case of the Hoogsteen base pair configuration is discussed.

Vibration and Vibration-Torsion Levels of the S_{1} and Ground Cationic D_{0}^{+} States of Para-Fluorotoluene and Para-Xylene Below 1000 \\wn

NASA Astrophysics Data System (ADS)

Tuttle, William Duncan; Gardner, Adrian M.; Whalley, Laura E.; Wright, Timothy G.

2017-06-01

We have employed resonance-enhanced multiphoton ionisation (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy to investigate the first excited electronic singlet (S_{1}) state and the cationic ground state (D_{0}^{+}) of para-fluorotoluene (pFT) and para-xylene (pXyl). Spectra have been recorded via a large number of selected intermediate levels, to support assignment of the vibration and vibration-torsion levels in these molecules and to investigate possible couplings. The study of levels in this region builds upon previous work on the lower energy regions of pFT and pXyl and here we are interested in how vibration-torsion (vibtor) levels might combine and interact with vibrational ones, and so we consider the possible couplings which occur. Comparisons between the spectra of the two molecules show a close correspondence, and the influence of the second methyl rotor in para-xylene on the onset of intramolecular vibrational redistribution (IVR) in the S_{1} state is a point of interest. This has bearing on future work which will need to consider the role of both more flexible side chains of substituted benzene molecules, and multiple side chains. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). A. M. Gardner, W. D. Tuttle, P. Groner and T. G. Wright, J. Chem. Phys., (2017, in press). W. D. Tuttle, A. M. Gardner, K. O'Regan, W. Malewicz and T. G. Wright, J. Chem. Phys., (2017, in press).

Torsional, Vibrational and Vibration-Torsional Levels in the S_{1} and Ground Cationic D_{0}^{+} States of Para-Fluorotoluene

NASA Astrophysics Data System (ADS)

Gardner, Adrian M.; Tuttle, William Duncan; Whalley, Laura E.; Claydon, Andrew; Carter, Joseph H.; Wright, Timothy G.

2017-06-01

The S_{1} electronic state and ground state of the cation of para-fluorotoluene (pFT) have been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy. Here we focus on the low wavenumber region where a number of "pure" torsional, fundamental vibrational and vibration-torsional levels are expected; assignments of observed transitions are discussed, which are compared to results of published work on toluene (methylbenzene) from the Lawrance group. The similarity in the activity observed in the excitation spectrum of the two molecules is striking. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). J. R. Gascooke, E. A. Virgo, and W. D. Lawrance J. Chem. Phys., 143, 044313 (2015).

Millimetre Wave Rotational Spectrum of Glycolic Acid

NASA Technical Reports Server (NTRS)

Kisiel, Zbigniew; Pszczolkowski, Lech; Bialkowska-Jaworska, Ewa; Charnley, Steven B.

2016-01-01

The pure rotational spectrum of glycolic acid, CH2OHCOOH, was studied in the region 115-318 GHz. For the most stable SSC conformer, transitions in all vibrational states up to 400 cm(exp -1) have been measured and their analysis is reported. The data sets for the ground state, v21 = 1, and v21 = 2 have been considerably extended. Immediately higher in vibrational energy are two triads of interacting vibrational states and their rotational transitions have been assigned and successfully fitted with coupled Hamiltonians accounting for Fermi and Coriolis resonances. The derived energy level spacings establish that the vibrational frequency of the v21 mode is close to 100 cm(exp -1). The existence of the less stable AAT conformer in the near 50 C sample used in our experiment was also confirmed and additional transitions have been measured.

Thermodynamically stable diatomic dications: The cases of SrO2+ and SrH2+

NASA Astrophysics Data System (ADS)

Gonçalves dos Santos, Levi; Franzreb, Klaus; Ornellas, Fernando R.

2018-03-01

A high level theoretical investigation of the low-lying electronic states of the diatomic dications SrO2+ and SrH2+ is presented for the first time along with experimental results of their mass spectra where they were detected. A global and reliable picture of the potential energy curves of the electronic states and the associated spectroscopic parameters provide quantitative results attesting to the thermodynamic stability of both species. Inclusion of spin-orbit interactions does not significantly change the energetic characterization. For SrO2+, the ground (X 3Σ-) and first excited (A 3Π, Te = 3971 cm-1) states are bound (De) by 15.94 kcal mol-1 and 4.71 kcal mol-1, respectively. Transition probabilities (Av'v″) have been evaluated and radiative lifetimes estimated for the vibrational states of A 3Π (v'), and transition probabilities are expected to be diagonally dominant and fall in the far-IR region of the spectrum. For the singlet states a 1Δ, b 1Π, c 1Σ+, and d 1Σ+, transition probabilities have also been calculated for all symmetry allowed transitions and the radiative lifetimes evaluated for selected vibrational states of the upper levels. The transitions associated with the band systems d 1Σ+-b 1Π and d 1Σ+-c 1Σ+, although falling in the yellow region of the spectrum, with overlapping bands, are expected to show quite distinct intensities since the transition moment associated with d 1Σ+-c 1Σ+ is much larger. For singlet transitions, the prediction of relative intensities using the Franck-Condon approximation fails in most of the cases. For SrH2+, only the ground state is bound (De = 6.54 kcal mol-1); with an equilibrium distance of 5.117 a0, the associated spectroscopic parameters (ωe, ωexe, Be) turned out to be (518.9, 32.77, 2.3227) in cm-1. For both species, dipole moment functions illustrate the variation of the molecular polarity with the internuclear distance.

Measurement of Dynamic Viscoelasticity of Full-Size Wood Composite Panels Using a Vibration Testing Method

Treesearch

Cheng Guan; Houjiang Zhang; John F. Hunt; Lujing Zhou; Dan Feng

2016-01-01

The dynamic viscoelasticity of full-size wood composite panels (WCPs) under the free-free vibrational state were determined by a vibration testing method. Vibration detection tests were performed on 194 pieces of three types of full-size WCPs (particleboard, medium density fiberboard, and plywood (PW)). The dynamic viscoelasticity from smaller specimens cut from the...

Spectroscopic investigations of ThF and ThF+.

PubMed

Barker, Beau J; Antonov, Ivan O; Heaven, Michael C; Peterson, Kirk A

2012-03-14

The electronic spectra of ThF and ThF(+) have been examined using laser induced fluorescence and resonant two-photon ionization techniques. The results from high-level ab initio calculations have been used to guide the assignment of these data. Spectra for ThF show that the molecule has an X (2)Δ(3/2) ground state. The upper spin-orbit component, X (2)Δ(5/2) was found at an energy of 2575(15) cm(-1). The low-lying states of ThF(+) were probed using dispersed fluorescence and pulsed field ionization-zero kinetic energy (PFI-ZEKE) photoelectron spectroscopy. Vibronic progressions belonging to four electronic states were identified. The lowest energy states were clearly (1)Σ(+) and (3)Δ(1). Although the energy ordering could not be rigorously determined, the evidence favors assignment of (1)Σ(+) as the ground state. The (3)Δ(1) state, of interest for investigation of the electron electric dipole moment, is just 315.0(5) cm(-1) above the ground state. The PFI-ZEKE measurements for ThF yielded an ionization energy of 51 581(3) cm(-1). Molecular constants show that the vibrational constant increases and the bond length shortens on ionization. This is consistent with removal of a non-bonding Th-centered 6d or 7s electron. Laser excitation of ThF(+) was used to probe electronically excited states in the range of 19,000-21,500 cm(-1).

Orthogonal system of fractural and integrated diagnostic features in vibration analysis

NASA Astrophysics Data System (ADS)

Kostyukov, V. N.; Boychenko, S. N.

2017-08-01

The paper presents the results obtained in the studies of the orthogonality of the vibration diagnostic features system comprising the integrated features, particularly - root mean square values of vibration acceleration, vibration velocity, vibration displacement and fractal feature (Hurst exponent). To diagnose the condition of the equipment by the vibration signal, the orthogonality of the vibration diagnostic features is important. The fact of orthogonality shows that the system of features is not superfluous and allows the maximum coverage of the state space of the object being diagnosed. This, in turn, increases reliability of the machinery condition monitoring results. The studies were carried out on the models of vibration signals using the programming language R.

Non-LTE models of Titan's upper atmosphere

NASA Technical Reports Server (NTRS)

Yelle, Roger V.

1991-01-01

Models for the thermal structure of Titan's upper atmosphere, between 0.1 mbar and 0.01 nbar are presented. The calculations include non-LTE heating/cooling in the rotation-vibration bands of CH4, C2H2, and C2H6, absorption of solar IR radiation in the near-IR bands of CH4 and subsequent cascading to the nu-4 band of CH4, absorption of solar EUV and UV radiation, thermal conduction and cooling by HCN rotational lines. Unlike earlier models, the calculated exospheric temperature agrees well with observations, because of the importance of HCN cooling. The calculations predict a well-developed mesopause with a temperature of 135-140 K at an altitude of approximately 600 km and pressure of about 0.1 microbar. The mesopause is at a higher pressure than predicted by earlier calculations because non-LTE radiative transfer in the rotation-vibration bands of CH4, C2H2, and C2H6 is treated in an accurate manner. The accuracy of the LTE approximation for source functions and heating rates is discussed.

Direct observation of methyl rotor and vib-rotor states of S0 toluene: a revised torsional barrier due to torsion-vibration coupling.

PubMed

Gascooke, Jason R; Virgo, Edwina A; Lawrance, Warren D

2015-01-14

We report a two dimensional, laser induced fluorescence study of the lowest 345 cm(-1) region of S0 toluene. Methyl rotor levels of 00 up to m = 6 and of 201 up to m = 4 are observed. The rotor levels of 00 and 201 have quite different energy spacings that are well fit by a model that includes strong torsion-vibration coupling between them. The model requires that the rotor barrier height be revised from -4.84 cm(-1) (methyl hydrogens in a staggered conformation) to +1.57 cm(-1) (eclipsed conformation). However, the 3a2″ state lies below the 3a1″ state as expected for a staggered conformation due to energy shifts associated with the torsion-vibration coupling. It is shown that the rotor wave-functions exhibit little localization at the torsional energy minima. The variation in the m = 0 wavefunction probability distribution with torsional angle is shown to be very similar for the previously accepted negative V6 value and the torsion-vibration coupling model as this coupling shifts the phase of the wavefunction by 30° compared with its phase for V6 alone. The presence of a strong Δυ = ± 1 torsion-vibration coupling involving the lowest frequency vibrational mode provides a potential pathway for rapid intramolecular vibrational energy redistribution at higher energies.

A new Morse-oscillator based Hamiltonian for H 3+: Calculation of line strengths

NASA Astrophysics Data System (ADS)

Jensen, Per; Špirko, V.

1986-07-01

In two recent publications [V. Špirko, P. Jensen, P. R. Bunker, and A. Čejchan, J. Mol. Spectrosc.112, 183-202 (1985); P. Jensen, V. Špirko, and P. R. Bunker, J. Mol. Spectrosc.115, 269-293 (1986)], we have described the development of Morse oscillator adapted rotation-vibration Hamiltonians for equilateral triangular X3 and Y2X molecules, and we have used these Hamiltonians to calculate the rotation-vibration energies for H 3+ and its X3+ and Y2X+ isotopes from ab initio potential energy functions. The present paper presents a method for calculating rotation-vibration line strengths of H 3+ and its isotopes using an ab initio dipole moment function [G. D. Carney and R. N. Porter, J. Chem. Phys.60, 4251-4264 (1974)] together with the energies and wave-functions obtained by diagonalization of the Morse oscillator adapted Hamiltonians. We use this method for calculating the vibrational transition moments involving the lowest vibrational states of H 3+, D 3+, H 2D +, and D 2H +. Further, we calculate the line strengths of the low- J transitions in the rotational spectra of H 3+ in the vibrational ground state and in the ν1 and ν2 states. We hope that the calculations presented will facilitate the search for further rotation-vibration transitions of H 3+ and its isotopes.

Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

DOE PAGES

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

Vibrational Mode-Specific Autodetachment and Coupling of CH2CN-

NASA Astrophysics Data System (ADS)

Lyle, Justin; Mabbs, Richard

2017-06-01

The Cyanomethyl Anion, CH_{2}CN-, and neutral radical have been studied extensively, with several findings of autodetachment about the totally symmetric transition, as well as high resolution experiments revealing symmetrically forbidden and weak vibrational features. We report photoelectron spectra using the Velocity-Mapped Imaging Technique in 1-2 \\wn increments over a range of 13460 to 15384 \\wn that has not been previously examined. These spectra include excitation of the ground state cyanomethyl anion into the direct detachment thresholds of previously reported vibrational modes for the neutral radical. Significant variations from Franck-Condon behavior were observed in the branching ratios for resolved vibrational features for excitation in the vicinity of the thresholds involving the νb{3} and νb{5} modes. These are consistent with autodetachment from rovibrational levels of a dipole bound state acting as a resonance in the detachment continuum. The autodetachment channels involve single changes in vibrational quantum number, consistent with the vibrational propensity rule but in some cases reveal relaxation to a different vibrational mode indicating coupling between the modes and/or a breakdown of the normal mode approximation.

Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 paper, 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. 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

Electronic spectroscopy of diatomic molecules

NASA Technical Reports Server (NTRS)

Partridge, Harry; Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.

1994-01-01

This article provides an overview of the principal computational approaches and their accuracy for the study of electronic spectroscopy of diatomic molecules. We include a number of examples from our work that illustrate the range of application. We show how full configuration interaction benchmark calculations were instrumental in improving the understanding of the computational requirements for obtaining accurate results for diatomic spectroscopy. With this understanding it is now possible to compute radiative lifetimes accurate to within 10% for systems involving first- and second-row atoms. We consider the determination of the infrared vibrational transition probabilities for the ground states of SiO and NO, based on a globally accurate dipole moment function. We show how we were able to assign the a(sup "5)II state of CO as the upper state in the recently observed emission bands of CO in an Ar matrix. We next discuss the assignment of the photoelectron detachment spectra of NO and the alkali oxide negative ions. We then present several examples illustrating the state-of-the-art in determining radiative lifetimes for valence-valence and valence-Rydberg transitions. We next compare the molecular spectroscopy of the valence isoelectronic B2, Al2, and AlB molecules. The final examples consider systems involving transition metal atoms, which illustrate the difficulty in describing states with different numbers of d electrons.

Coherent control of the formation of cold heteronuclear molecules by photoassociation

NASA Astrophysics Data System (ADS)

de Lima, Emanuel F.

2017-01-01

We consider the formation of cold diatomic molecules in the electronic ground state by photoassociation of atoms of dissimilar species. A combination of two transition pathways from the free colliding pair of atoms to a bound vibrational level of the electronic molecular ground state is envisioned. The first pathway consists of a pump-dump scheme with two time-delayed laser pulses in the near-infrared frequency domain. The pump pulse drives the transition to a bound vibrational level of an excited electronic state, while the dump pulse transfers the population to a bound vibrational level of the electronic ground state. The second pathway takes advantage of the existing permanent dipole moment and employs a single pulse in the far-infrared domain to drive the transition from the unbound atoms directly to a bound vibrational level in the electronic ground state. We show that this scheme offers the possibility to coherently control the photoassociation yield by manipulating the relative phase and timing of the pulses. The photoassociation mechanism is illustrated for the formation of cold LiCs molecules.

Channel branching ratios in CH2CN- photodetachment: Rotational structure and vibrational energy redistribution in autodetachment

NASA Astrophysics Data System (ADS)

Lyle, Justin; Wedig, Olivia; Gulania, Sahil; Krylov, Anna I.; Mabbs, Richard

2017-12-01

We report photoelectron spectra of CH2CN-, recorded at photon energies between 13 460 and 15 384 cm-1, which show rapid intensity variations in particular detachment channels. The branching ratios for various spectral features reveal rotational structure associated with autodetachment from an intermediate anion state. Calculations using equation-of-motion coupled-cluster method with single and double excitations reveal the presence of two dipole-bound excited anion states (a singlet and a triplet). The computed oscillator strength for the transition to the singlet dipole-bound state provides an estimate of the autodetachment channel contribution to the total photoelectron yield. Analysis of the different spectral features allows identification of the dipole-bound and neutral vibrational levels involved in the autodetachment processes. For the most part, the autodetachment channels are consistent with the vibrational propensity rule and normal mode expectation. However, examination of the rotational structure shows that autodetachment from the ν3 (v = 1 and v = 2) levels of the dipole-bound state displays behavior counter to the normal mode expectation with the final state vibrational level belonging to a different mode.

Coupling of Large Amplitude Inversion with Other States

NASA Astrophysics Data System (ADS)

Pearson, John; Yu, Shanshan

2016-06-01

The coupling of a large amplitude motion with a small amplitude vibration remains one of the least well characterized problems in molecular physics. Molecular inversion poses a few unique and not intuitively obvious challenges to the large amplitude motion problem. In spite of several decades of theoretical work numerous challenges in calculation of transition frequencies and more importantly intensities persist. The most challenging aspect of this problem is that the inversion coordinate is a unique function of the overall vibrational state including both the large and small amplitude modes. As a result, the r-axis system and the meaning of the K-quantum number in the rotational basis set are unique to each vibrational state of large or small amplitude motion. This unfortunate reality has profound consequences to calculation of intensities and the coupling of nearly degenerate vibrational states. The case of NH3 inversion and inversion through a plane of symmetry in alcohols will be examined to find a general path forward.

Experimental determination of the 1 Sigma(+) state electric dipole moment function of carbon monoxide up to a large internuclear separation

NASA Technical Reports Server (NTRS)

Chackerian, C., Jr.; Farrenq, R.; Guelachvili, G.; Rossetti, C.; Urban, W.

1984-01-01

Experimental intensity information is combined with numerically obtained vibrational wave functions in a nonlinear least-squares fitting procedure to obtain the ground electronic state electric dipole moment function of carbon monoxide valid in the range of nuclear oscillation (0.87-1.91 A) of about the V = 38th vibrational level. Vibrational transition matrix elements are computed from this function for Delta V = 1, 2, 3 with V not more than 38.

Ares I-X Launch Abort System, Crew Module, and Upper Stage Simulator Vibroacoustic Flight Data Evaluation, Comparison to Predictions, and Recommendations for Adjustments to Prediction Methodology and Assumptions

NASA Technical Reports Server (NTRS)

Smith, Andrew; Harrison, Phil

2010-01-01

The National Aeronautics and Space Administration (NASA) Constellation Program (CxP) has identified a series of tests to provide insight into the design and development of the Crew Launch Vehicle (CLV) and Crew Exploration Vehicle (CEV). Ares I-X was selected as the first suborbital development flight test to help meet CxP objectives. The Ares I-X flight test vehicle (FTV) is an early operational model of CLV, with specific emphasis on CLV and ground operation characteristics necessary to meet Ares I-X flight test objectives. The in-flight part of the test includes a trajectory to simulate maximum dynamic pressure during flight and perform a stage separation of the Upper Stage Simulator (USS) from the First Stage (FS). The in-flight test also includes recovery of the FS. The random vibration response from the ARES 1-X flight will be reconstructed for a few specific locations that were instrumented with accelerometers. This recorded data will be helpful in validating and refining vibration prediction tools and methodology. Measured vibroacoustic environments associated with lift off and ascent phases of the Ares I-X mission will be compared with pre-flight vibration predictions. The measured flight data was given as time histories which will be converted into power spectral density plots for comparison with the maximum predicted environments. The maximum predicted environments are documented in the Vibroacoustics and Shock Environment Data Book, AI1-SYS-ACOv4.10 Vibration predictions made using statistical energy analysis (SEA) VAOne computer program will also be incorporated in the comparisons. Ascent and lift off measured acoustics will also be compared to predictions to assess whether any discrepancies between the predicted vibration levels and measured vibration levels are attributable to inaccurate acoustic predictions. These comparisons will also be helpful in assessing whether adjustments to prediction methodologies are needed to improve agreement between the predicted and measured flight data. Future assessment will incorporate hybrid methods in VAOne analysis (i.e., boundary element methods, BEM and finite element methods, FEM). These hybrid methods will enable the ability to import NASTRAN models providing much more detailed modeling of the underlying beams and support structure of the ARES 1-X test vehicle. Measured acoustic data will be incorporated into these analyses to improve correlation for additional post flight analysis.

Precise ro-vibrational analysis of molecular bands forbidden in absorption: The ν8 +ν10 band of the 12C2H4 molecule

NASA Astrophysics Data System (ADS)

Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Kashirina, N. V.; Bauerecker, S.; Horneman, V.-M.

2015-07-01

The highly accurate (experimental accuracy in line positions ∼ (1 - 2) ×10-4 cm-1) ro-vibrational spectrum of the ν8 +ν10 band of the 12C2H4 molecule was recorded for the first time with high resolution Fourier transform spectrometry and analyzed in the region of 1650-1950 cm-1 using the Hamiltonian model which takes into account Coriolis resonance interactions between the studied ν8 +ν10 band, which is forbidden in absorption, and the bands ν4 +ν8 and ν7 +ν8 . About 1570 transitions belonging to the ν8 +ν10 band were assigned in the experimental spectra with the maximum values of quantum numbers Jmax. = 35 and Kamax . = 18 . On that basis, a set of 38 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 598 initial "experimental" ro-vibrational energy levels (positions of about 1570 experimentally recorded and assigned transitions) with the rms error drms = 0.00045 cm-1 (drms = 0.00028 cm-1 when upper ro-vibrational energies obtained from blended and very weak transitions were deleted from the fit).

A comparison of different vibration exercise techniques on neuromuscular performance.

PubMed

García-Gutiérrez, M T; Rhea, M R; Marín, P J

2014-09-01

The first purpose of this study was to determine the effects of whole-body vibration (WBV) exercise during an isometric hand-grip exercise. The second purpose was to evaluate whether more than one vibratory focus would evoke an increase in the effects evoked by only one vibratory focus. The present study investigated whether WBV exposure during 10 repetitions of a handgrip dynamometer while standing on a WBV platform. Twenty-eight recreationally active university students completed 3 different test conditions, in random order: 1) grip dynamometer exercise with superimposed WBV and contralateral arm vibration (WBV+AV); 2) superimposed arm vibration only (AV); 3) grip dynamometer exercise without vibration (Control). The hand grip strength was slightly higher in the WBV condition as compared to the Control and AV conditions (1.1% and 3.6%, p>0.05, respectively). A main effect of the EMGrms of extensor digitorum muscle (ED) was observed indicating that the WBV+AV condition produced a lower co-activation of ED during a flexor digital task than the Control and AV (p<0.05) conditions. The application of WBV+AV may acutely increase muscle coordination and decreases the coactivation of ED. Furthermore, the muscle EMGrms showed increases in activation near the vibratory focus in both upper- and lower-body.

The acute effects of stretching with vibration on dynamic flexibility in young female gymnasts.

PubMed

Johnson, Aaron W; Warcup, Caisa N; Seeley, Matthew K; Eggett, Dennis; Feland, Jeffery B

2018-01-10

While stretching with vibration has been shown to improve static flexibility; the effect of stretching with vibration on dynamic flexibility is not well known. The purpose of this study was to examine the effectiveness of stretching with vibration on acute dynamic flexibility and jump height in novice and advanced competitive female gymnasts during a split jump. Female gymnast (n=27, age: 11.5 ± 1.7 years, Junior Olympic levels 5-10) participated in this cross-over study. Dynamic flexibility during gymnastic split jumps were video recorded and analyzed with Dartfish software. All participants completed both randomized stretching protocols with either the vibration platform turned on (VIB) (frequency of 30 Hz and 2 mm amplitude) or off (NoVIB) separated by 48 h. Participants performed 4 sets of three stretches on the vibration platform. Each stretch was held for 30 s with 5 s rest for a total of 7 min of stretch. Split jump flexibility decreased significantly from pre to post measurement in both VIB (-5.8°±5.9°) (p<0.001) and NoVIB (-2.6°±6.1°) (p=0.041) conditions (adjusted for gymnast level). This effect was greatest in lower skill level gymnasts (p=0.003), while the highest skill level gymnasts showed no significant decrease in the split jump (p=0.105). Jump height was not significantly different between conditions (p=0.892) or within groups (p=0.880). An acute session of static stretching with or without vibration immediately before performance does not alter jump height. Stretching with vibration immediately prior to gymnastics competition decreases split jump flexibility in lower level gymnasts more than upper level gymnasts.

Postural stability effects of random vibration at the feet of construction workers in simulated elevation.

PubMed

Simeonov, P; Hsiao, H; Powers, J; Ammons, D; Kau, T; Amendola, A

2011-07-01

The risk of falls from height on a construction site increases under conditions which degrade workers' postural control. At elevation, workers depend heavily on sensory information from their feet to maintain balance. The study tested two hypotheses: "sensory enhancement"--sub-sensory (undetectable) random mechanical vibrations at the plantar surface of the feet can improve worker's balance at elevation; and "sensory suppression"--supra-sensory (detectable) random mechanical vibrations can have a degrading effect on balance in the same experimental settings. Six young (age 20-35) and six aging (age 45-60) construction workers were tested while standing in standard and semi-tandem postures on instrumented gel insoles. The insoles applied sub- or supra-sensory levels of random mechanical vibrations to the feet. The tests were conducted in a surround-screen virtual reality system, which simulated a narrow plank at elevation on a construction site. Upper body kinematics was assessed with a motion-measurement system. Postural stability effects were evaluated by conventional and statistical mechanics sway measures, as well as trunk angular displacement parameters. Analysis of variance did not confirm the "sensory enhancement" hypothesis, but provided evidence for the "sensory suppression" hypothesis. The supra-sensory vibration had a destabilizing effect, which was considerably stronger in the semi-tandem posture and affected most of the sway variables. Sensory suppression associated with elevated vibration levels on a construction site may increase the danger of losing balance. Construction workers at elevation, e.g., on a beam or narrow plank might be at increased risk of fall if they can detect vibrations under their feet. To reduce the possibility of losing balance, mechanical vibration to supporting structures used as walking/working surfaces should be minimized when performing construction tasks at elevation. Published by Elsevier Ltd.

Exposure to whole-body vibration and mechanical shock: a field study of quad bike use in agriculture.

PubMed

Milosavljevic, Stephan; McBride, David I; Bagheri, Nasser; Vasiljev, Radivoj M; Mani, Ramakrishnan; Carman, Allan B; Rehn, Borje

2011-04-01

The purpose of this study was to determine exposure to whole-body vibration (WBV) and mechanical shock in rural workers who use quad bikes and to explore how personal, physical, and workplace characteristics influence exposure. A seat pad mounted triaxial accelerometer and data logger recorded full workday vibration and shock data from 130 New Zealand rural workers. Personal, physical, and workplace characteristics were gathered using a modified version of the Whole Body Vibration Health Surveillance Questionnaire. WBVs and mechanical shocks were analysed in accordance with the International Standardization for Organization (ISO 2631-1 and ISO 2631-5) standards and are presented as vibration dose value (VDV) and mechanical shock (S(ed)) exposures. VDV(Z) consistently exceeded European Union (Guide to good practice on whole body vibration. Directive 2002/44/EC on minimum health and safety, European Commission Directorate General Employment, Social Affairs and Equal Opportunities. 2006) guideline exposure action thresholds with some workers exceeding exposure limit thresholds. Exposure to mechanical shock was also evident. Increasing age had the strongest (negative) association with vibration and shock exposure with body mass index (BMI) having a similar but weaker effect. Age, daily driving duration, dairy farming, and use of two rear shock absorbers created the strongest multivariate model explaining 33% of variance in VDV(Z). Only age and dairy farming combined to explain 17% of the variance for daily mechanical shock. Twelve-month prevalence for low back pain was highest at 57.7% and lowest for upper back pain (13.8%). Personal (age and BMI), physical (shock absorbers and velocity), and workplace characteristics (driving duration and dairy farming) suggest that a mix of engineered workplace and behavioural interventions is required to reduce this level of exposure to vibration and shock.

Design and Optimization of Ultrasonic Vibration Mechanism using PZT for Precision Laser Machining

NASA Astrophysics Data System (ADS)

Kim, Woo-Jin; Lu, Fei; Cho, Sung-Hak; Park, Jong-Kweon; Lee, Moon G.

As the aged population grows around the world, many medical instruments and devices have been developed recently. Among the devices, a drug delivery stent is a medical device which requires precision machining. Conventional drug delivery stent has problems of residual polymer and decoating because the drug is coated on the surface of stent with the polymer. If the drug is impregnated in the micro sized holes on the surface, the problems can be overcome because there is no need to use the polymer anymore. Micro sized holes are generally fabricated by laser machining; however, the fabricated holes do not have a high aspect ratio or a good surface finish. To overcome these problems, we propose a vibration-assisted machining mechanism with PZT (Piezoelectric Transducers) for the fabrication of micro sized holes. If the mechanism vibrates the eyepiece of the laser machining head, the laser spot on the workpiece will vibrate vertically because objective lens in the eyepiece shakes by the mechanism's vibration. According to the former researches, the vibrating frequency over 20 kHz and amplitude over 500 nm are preferable. The vibration mechanism has cylindrical guide, hollowed PZT and supports. In the cylinder, the eyepiece is mounted. The cylindrical guide has upper and low plates and side wall. The shape of plates and side wall are designed to have high resonating frequency and large amplitude of motion. The PZT is also selected to have high actuating force and high speed of motion. The support has symmetrical and rigid configuration. The mechanism secures linear motion of the eyepiece. This research includes sensitivity analysis and design of ultrasonic vibration mechanism. As a result of design, the requirements of high frequency and large amplitude are achieved.

Radiative lifetimes of the CN (A 2 Pi i) electronic state

NASA Technical Reports Server (NTRS)

Lu, Richang; Huang, Yuhui; Halpern, Joshua B.

1992-01-01

Radiative lifetimes have been measured for CN (A 2 Pi i v-prime = 2...7). Ground-state radicals formed in the 193 nm photolysis of C2N2 and ClCN were excited to A 2 Pi i v-prime = 2...7 vibrational levels. The decay was monitored by following the fluorescence. Cascading effects were eliminated by working at low pressures and monitoring emission from a single vibrational band. Quenching rates and zero-pressure radiative lifetimes were obtained from Stern-Volmer plots. The lifetimes are significantly lower than previous measurements and theoretical calculations for vibrational states v-prime over 2.

Integrated active sensor system for real time vibration monitoring.

PubMed

Liang, Qijie; Yan, Xiaoqin; Liao, Xinqin; Cao, Shiyao; Lu, Shengnan; Zheng, Xin; Zhang, Yue

2015-11-05

We report a self-powered, lightweight and cost-effective active sensor system for vibration monitoring with multiplexed operation based on contact electrification between sensor and detected objects. The as-fabricated sensor matrix is capable of monitoring and mapping the vibration state of large amounts of units. The monitoring contents include: on-off state, vibration frequency and vibration amplitude of each unit. The active sensor system delivers a detection range of 0-60 Hz, high accuracy (relative error below 0.42%), long-term stability (10000 cycles). On the time dimension, the sensor can provide the vibration process memory by recording the outputs of the sensor system in an extend period of time. Besides, the developed sensor system can realize detection under contact mode and non-contact mode. Its high performance is not sensitive to the shape or the conductivity of the detected object. With these features, the active sensor system has great potential in automatic control, remote operation, surveillance and security systems.

Integrated active sensor system for real time vibration monitoring

PubMed Central

Liang, Qijie; Yan, Xiaoqin; Liao, Xinqin; Cao, Shiyao; Lu, Shengnan; Zheng, Xin; Zhang, Yue

2015-01-01

We report a self-powered, lightweight and cost-effective active sensor system for vibration monitoring with multiplexed operation based on contact electrification between sensor and detected objects. The as-fabricated sensor matrix is capable of monitoring and mapping the vibration state of large amounts of units. The monitoring contents include: on-off state, vibration frequency and vibration amplitude of each unit. The active sensor system delivers a detection range of 0–60 Hz, high accuracy (relative error below 0.42%), long-term stability (10000 cycles). On the time dimension, the sensor can provide the vibration process memory by recording the outputs of the sensor system in an extend period of time. Besides, the developed sensor system can realize detection under contact mode and non-contact mode. Its high performance is not sensitive to the shape or the conductivity of the detected object. With these features, the active sensor system has great potential in automatic control, remote operation, surveillance and security systems. PMID:26538293

Exercise with vibration dumb-bell enhances neuromuscular excitability measured using TMS.

PubMed

Fowler, D E; Tok, M I; Colakoğlu, M; Bademkiran, F; Colakoğlu, Z

2010-09-01

The purpose of the study was to examine the effects of exercise without vibration and exercise with vibration (27 Hz) on the cortical silent period (CSP) and cortical motor threshold (CMT) measured using transcranial magnetic stimulation (TMS). In 22 university athletes, a circular coil attached to a TMS stimulator was applied over the contralateral motor cortex of the target forearm. Resting cortical motor thresholds for dominant and non-dominant extremities were measured for each participant. Then, 15 biceps curls (15 flexion and 15 extension movements) were performed with the dominant arm using a single vibration dumbbell with the vibration turned off. On a different day, the same biceps curl protocol was performed with the dumbbell vibrating at 27 Hz (2 mm amplitude). A supra-threshold TMS stimulus (1.5x CMT) was delivered while participants were voluntarily contracting the flexor digitorum sublimus muscle (30% MVC grip strength) to determine cortical silent periods before and after each upper extremity exercise protocol. Cortical motor thresholds were measured at rest and after the vibration exercise protocol. All subjects completed the study protocol as designed. After TMS, the CSP in the dominant (exercised) extremities increased after exercise without vibration from a resting (pre-exercise) mean of 57.3 ms to 70.4 ms (P<0.05) and after exercise with vibration, the CSP decreased to a mean of 49.4 ms (P<0.02). The CSP in the non-dominant (unexercised) extremities decreased from resting values of 75.6 ms to 69.3 ms (P=0.935) after the exercise-only protocol and decreased to 49.4 ms (P<0.01) after the vibration exercise protocol. The cortical motor threshold in exercised extremities decreased from a resting mean of 41.4 μV to a postvibration exercise mean of 38.6 μV (P<0.01). In non-exercised extremities, the CMT also decreased, from mean of 43.5 μV to 39.9 μV after the vibration-exercise (P<0.01). Vibration exercise enhances bilateral corticospinal excitability, as demonstrated by a shortened cortical silent period and lower cortical motor threshold in both exercised and non-exercised extremities.

Vibration and recoil control of pneumatic hammers. [by air flow pressure regulation

NASA Technical Reports Server (NTRS)

Constantinescu, I. N.; Darabont, A. V.

1974-01-01

Vibration sources are described for pneumatic hammers used in the mining industry (pick hammers), in boiler shops (riveting hammers), etc., bringing to light the fact that the principal vibration source is the variation in air pressure inside the cylinder. The present state of the art of vibration control of pneumatic hammers as it is practiced abroad, and the solutions adopted for this purpose, are discussed. A new type of pneumatic hammer with a low noise and vibration level is presented.

Dissociation energy and dynamics of water clusters

NASA Astrophysics Data System (ADS)

Ch'ng, Lee Chiat

The state-to-state vibrational predissociation (VP) dynamics of water clusters were studied following excitation of a vibrational mode of each cluster. Velocity-map imaging (VMI) and resonance-enhanced multiphoton ionization (REMPI) were used to determine pair-correlated center-of-mass translational energy distributions. Product energy distributions and dissociation energies were determined. Following vibrational excitation of the HCl stretch fundamental of the HCl-H2O dimer, HCl fragments were detected by 2 + 1 REMPI via the f 3□2(nu' = 0) ← X 1Sigma+(nu'' = 0) and V1Sigma + (nu' = 11 and 12) ← X1Sigma+ (nu'' = 0) transitions. REMPI spectra clearly show HCl from dissociation produced in the ground vibrational state with J'' up to 11. The fragments' center-of-mass translational energy distributions were determined from images of selected rotational states of HCl and were converted to rotational state distributions of the water cofragment. All the distributions could be fit well when using a dimer dissociation energy of bond dissociation energy D0 = 1334 +/- 10 cm--1. The rotational distributions in the water cofragment pair-correlated with specific rotational states of HCl appear nonstatistical when compared to predictions of the statistical phase space theory. A detailed analysis of pair-correlated state distributions was complicated by the large number of water rotational states available, but the data show that the water rotational populations increase with decreasing translational energy. H2O fragments of this dimer were detected by 2 + 1 REMPI via the C˜1B1(000) ← X˜1A1(000) transition. REMPI clearly shows that H2O from dissociation is produced in the ground vibrational state. The fragment's center-of-mass translational energy distributions were determined from images of selected rotational states of H2O and were converted to rotational state distributions of the HCl cofragment. The distributions gave D0 = 1334 +/- 10 cm --1 and show a clear preference for rotational levels in the HCl fragment that minimize translational energy release. The usefulness of 2 + 1 REMPI detection of water fragment is discussed. The hydrogen bonding in water is dominated by pair-wise dimer interactions, and the predissociation of the water dimer following vibrational excitation is reported. The measured D0 values of (H 2O)2 and (D2O)2, 1105 and 1244 +/- 10 cm--1, respectively, are in excellent agreement with the calculated values of 1103 and 1244 +/- 5 cm--1. Pair-correlated water fragment rovibrational state distributions following vibrational predissociation of (H2O)2 and (D2O) 2 were obtained upon excitation of the hydrogen bonded OH and OD stretch fundamentals, respectively. Quasiclassical trajectory calculations, using an accurate full-dimensional potential energy surface, are in accord with and help to elucidate experiment. Experiment and theory find predominant excitation of the fragment bending mode upon hydrogen bond breaking. A minor channel is also observed in which both fragments are in the ground vibrational state and are highly rotationally excited. The theoretical calculations reveal equal probability of bending excitation in the donor and acceptor subunits, which is a result of interchange of donor and acceptor roles. The rotational distributions associated with the major channel, in which one water fragment has one quantum of bend, and the minor channel with both water fragments in the ground vibrational state are calculated, and are in agreement with experiment. (Abstract shortened by UMI.)

Analytic Methods for Predicting Significant Multi-Quanta Effects in Collisional Molecular Energy Transfer

NASA Technical Reports Server (NTRS)

Bieniek, Ronald J.

1996-01-01

Collision-induced transitions can significantly affect molecular vibrational-rotational populations and energy transfer in atmospheres and gaseous systems. This, in turn. can strongly influence convective heat transfer through dissociation and recombination of diatomics. and radiative heat transfer due to strong vibrational coupling. It is necessary to know state-to-state rates to predict engine performance and aerothermodynamic behavior of hypersonic flows, to analyze diagnostic radiative data obtained from experimental test facilities, and to design heat shields and other thermal protective systems. Furthermore, transfer rates between vibrational and translational modes can strongly influence energy flow in various 'disturbed' environments, particularly where the vibrational and translational temperatures are not equilibrated.

Lattice vibrational contribution to equation of state for tetrahedral compounds

NASA Astrophysics Data System (ADS)

Kagaya, H.-Matsuo; Kotoku, H.; Soma, T.

1989-02-01

The lattice vibrational contributions to the Helmholtz free energy and the thermal pressure of tetrahedral compounds such as GaP, InP, ZnS, ZnSe, ZnTe and CdTe are investigated from the electronic theory of solids in the dynamical treatment based on our presented binding force. The temperature dependence of Helmholtz free energy and thermal pressure from lattice vibrational term are quantitatively obtained, and vibrational contributions to free energy are small compared with the static crystal energy. The influence of the thermal pressure is important to the equation of state in high temperatures, and the reformulation of the volume scale for the pressure-volume relation is given by considering the thermal pressure.

The Millimeter-Wave Spectrum of Methacrolein. Torsion-Rotation Effects in the Excited States

NASA Astrophysics Data System (ADS)

Zakharenko, Olena; Motiyenko, R. A.; Aviles Moreno, Juan-Ramon; Huet, T. R.

2015-06-01

Last year we reported the analysis of the rotational spectrum of s-trans conformer of methacrolein CH2=C(CH3)CHO in the ground vibrational state. In this talk we report the study of its low lying excited vibrational states. The study is based on room-temperature absorption spectra of methacrolein recorded in the frequency range 150 - 465 GHz using the spectrometer in Lille. The new results include assignment of the first excited torsional state (131 cm-1), and the joint analysis of the vt = 0 and vt = 1 states, that allowed us to improve the model in the frame of Rho-Axis-Method (RAM) Hamiltonian and to remove some strong correlations between parameters. Also we assigned the first excited vibrational state of the skeletal torsion mode (170 cm-1). The inverse sequence of A and E tunneling substates as well as anomalous A-E splittings observed for the rotational lines of vsk = 1 state clearly indicate a coupling between methyl torsion and skeletal torsion. However we were able to fit within experimental accuracy the rotational lines of vsk = 1 state using the RAM Hamiltonian. Because of the inversion of the A and E tunneling substates the rotational lines of the vsk = 1 states were assumed to belong to a virtual first excited torsional state. Finally, we assigned several low-Ka rotational transitions of the excited vibrational states above 200 cm-1 but their analysis is complicated by different rotation-vibration interactions. In particular there is an evidence of the Fermi-type resonance between the second excited torsional state and the first excited state of the in-plane skeletal bending mode (265 cm-1). Support from the French Laboratoire d'Excellence CaPPA (Chemical and Physical Properties of the Atmosphere) through contract ANR-10-LABX-0005 of the Programme d'Investissements d'Avenir is acknowledged. Zakharenko O. et al., 69th ISMS, 2014, TI01

Vibration-rotation interactions and ring-puckering in 3,3-dimethyl oxetane by microwave spectroscopy

NASA Astrophysics Data System (ADS)

López, Juan C.; Lesarri, Alberto G.; Villamañán, Rosa M.; Alonso, Josél.

1990-06-01

Ring puckering in 3,3-dimethyl oxetane has been investigated using microwave spectroscopy. Microwave spectra of the ground state, the first six ring-puckering excited states, and nine excited states of the methyl groups' deformation vibrations have been observed. The μa electric dipole moment component has been determined as 2.03(3) D from Stark-effect measurements. The vibrational dependence of the rotational constants is consistent with the ring-puckering potential function derived by Duckett et al. ( J. Mol. Spectrosc.69, 159-165 (1978)). Coriolis coupling interactions have been observed and are satisfactorily accounted for with a quartic centrifugal distortion Hamiltonian. The vibrational dependence of the centrifugal distortion constants has been analyzed using the theory developed by Creswell and Mills. In order to reproduce the experimental value of the vibration-rotation interaction parameter, {δμ ab}/{δQ}, a dynamical model allowing the rocking of the CH 3CCH 3 group should be used. The equilibrium ring puckering angle calculated with this model and the ring-puckering potential function is 17.5°.

A Gaussian Wave Packet Propagation Approach to Vibrationally Resolved Optical Spectra at Non-Zero Temperatures.

PubMed

Reddy, Ch Sridhar; Prasad, M Durga

2016-04-28

An effective time dependent approach based on a method that is similar to the Gaussian wave packet propagation (GWP) technique of Heller is developed for the computation of vibrationally resolved electronic spectra at finite temperatures in the harmonic, Franck-Condon/Hertzberg-Teller approximations. Since the vibrational thermal density matrix of the ground electronic surface and the time evolution operator on that surface commute, it is possible to write the spectrum generating correlation function as a trace of the time evolved doorway state. In the stated approximations, the doorway state is a superposition of the harmonic oscillator zero and one quantum eigenfunctions and thus can be propagated by the GWP. The algorithm has an O(N(3)) dependence on the number of vibrational modes. An application to pyrene absorption spectrum at two temperatures is presented as a proof of the concept.

Numerical solutions of anharmonic vibration of BaO and SrO molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pramudito, Sidikrubadi; Sanjaya, Nugraha Wanda; Sumaryada, Tony, E-mail: tsumaryada@ipb.ac.id

2016-03-11

The Morse potential is a potential model that is used to describe the anharmonic behavior of molecular vibration between atoms. The BaO and SrO molecules, which are two almost similar diatomic molecules, were investigated in this research. Some of their properties like the value of the dissociation energy, the energy eigenvalues of each energy level, and the profile of the wavefunctions in their correspondence vibrational states were presented in this paper. Calculation of the energy eigenvalues and plotting the wave function’s profiles were performed using Numerov method combined with the shooting method. In general we concluded that the Morse potentialmore » solved with numerical methods could accurately produce the vibrational properties and the wavefunction behavior of BaO and SrO molecules from the ground state to the higher states close to the dissociation level.« less

Complete characterization of the water dimer vibrational ground state and testing the VRT(ASP-W)III, SAPT-5st, and VRT(MCY-5f) surfaces

NASA Astrophysics Data System (ADS)

Keutsch, Frank N.; Goldman, Nir; Harker, Heather A.; Leforestier, Claude; Saykally, Richard J.

We report the observation of extensive a- and c-type rotation-tunnelling (RT) spectra of (H2O)2 for Ka =0-3, and (D2O)2 for Ka =0-4. These data allow a detailed characterization of the vibrational ground state to energies comparable to those of the low-lying (70-80 cm-1) intermolecular vibrations. We present a comparison of the experimentally determined molecular constants and tunnelling splittings with those calculated on the VRT(ASP-W)III, SAPT-5st, and VRT(MCY-5f) intermolecular potential energy surfaces. The SAPT-5st potential reproduces the vibrational ground state properties of the water dimer very well. The VRT(MCY-5f) and especially the VRT(ASP-W)III potentials show larger disagreements, in particular for the bifurcation tunnelling splitting.

Representing and selecting vibrational angular momentum states for quasiclassical trajectory chemical dynamics simulations.

PubMed

Lourderaj, Upakarasamy; Martínez-Núñez, Emilio; Hase, William L

2007-10-18

Linear molecules with degenerate bending modes have states, which may be represented by the quantum numbers N and L. The former gives the total energy for these modes and the latter identifies their vibrational angular momentum jz. In this work, the classical mechanical analog of the N,L-quantum states is reviewed, and an algorithm is presented for selecting initial conditions for these states in quasiclassical trajectory chemical dynamics simulations. The algorithm is illustrated by choosing initial conditions for the N = 3 and L = 3 and 1 states of CO2. Applications of this algorithm are considered for initial conditions without and with zero-point energy (zpe) included in the vibrational angular momentum states and the C-O stretching modes. The O-atom motions in the x,y-plane are determined for these states from classical trajectories in Cartesian coordinates and are compared with the motion predicted by the normal-mode model. They are only in agreement for the N = L = 3 state without vibrational angular momentum zpe. For the remaining states, the Cartesian O-atom motions are considerably different from the elliptical motion predicted by the normal-mode model. This arises from bend-stretch coupling, including centrifugal distortion, in the Cartesian trajectories, which results in tubular instead of elliptical motion. Including zpe in the C-O stretch modes introduces considerable complexity into the O-atom motions for the vibrational angular momentum states. The short-time O-atom motions for these trajectories are highly irregular and do not appear to have any identifiable characteristics. However, the O-atom motions for trajectories integrated for substantially longer period of times acquire unique properties. With C-O stretch zpe included, the long-time O-atom motion becomes tubular for trajectories integrated to approximately 14 ps for the L = 3 states and to approximately 44 ps for the L = 1 states.

The Fluctuating Bond Model, a Glue for Cuprate Superconductivity?

NASA Astrophysics Data System (ADS)

Newns, Dennis

2008-03-01

Twenty years of research have yet to produce a consensus on the origin of high temperature superconductivity (HTS). The mechanism of HTS - which originates in the CuO2 plane, common to all HTS families - can be constrained by some key experimental facts regarding superconducting and pseudogap behaviors. Superconductivity, involving a Tc of order 100 K, exhibits an unusual d-wave superconducting gap, with Fermi liquid nodal excitations, and an anomalous doping- dependent oxygen isotope shift. A ``pseudogap,'' also with d-symmetry, leads to a dip in the density of states below a characteristic temperature scale T^*, which has a negative isotope shift; we associate the pseudogap with the recently observed spatially inhomogeneous (nanometer- scale) C4 symmetry breaking. The isotope shifts and other evidence imply a key role for oxygen vibrations, but conventional BCS single-phonon coupling is essentially forbidden by symmetry and by the on-site Coulomb interaction U. In a novel approach, we introduce a model based on a strong, local, nonlinear interaction between electrons within the Cu-O-Cu bond in the CuO2 plane, and the oxygen vibrational degrees of freedom, termed the Fluctuating Bond Model (FBM) [D.M. Newns and C.C. Tsuei, Nature Physics 3, 184 (2007)]. In mean field the model predicts a phase manifesting broken C4 symmetry, with a d-type pseudogap, and an upper phase boundary in temperature, with a negative isotope shift, which we identify with T^*. An intrinsic d-wave pairing tendency is found, leading to a transition temperature dome and an anomalous isotope shift similar to that found experimentally. The softening in the oxygen vibrational frequency below Tc, seen in Raman and neutron spectra, has a natural explanation in the FBM. Recent ab initio calculations have been implemented which provide microscopic support for the model.

Near-Infrared Spectroscopy of Ethynyl Radical, C2H

NASA Astrophysics Data System (ADS)

Le, Anh T.; Hall, Gregory; Sears, Trevor

2016-06-01

The ethynyl radical, C_2H, is a reactive intermediate important in various combustion processes and also widely observed in the interstellar medium. In spite of extensive previous spectroscopic studies, the characterization of the near infrared transitions from the tilde{X}2Σ+ state to the mixed vibrational overtone and tilde{A}2Π states is incomplete. A strong band of C_2H at 7064 cm-1 was first observed in a neon matrix and assigned as the tilde{A}2Π(002)1 - tilde{X}2Σ+ transition by Forney et al. Subsequent theoretical work of Tarroni and Carter attributed the strong absorptions in this region to transitions terminating in two upper states, each a mixture of vibrationally excited tilde{X} states and different zero-order tilde{A}-state bending levels: a 2Σ+ symmetry combination of tilde{X}(0,20,3) and tilde{A}(0,3,0)0κ and a 2Π symmetry combination of tilde{X}(0,31,3) and tilde{A}(0,0,2)1. Transitions to them from the zero point level of the tilde{X} state are calculated to differ in energy by less than 10 cm-1 and to be within a factor of two in intensity. Diode laser transient absorption was used to record Doppler-limited spectra between 7020 and 7130 cm-1, using 193 nm photolysis of CF_3C_2H as a source of C_2H. Two interleaved, rotationally resolved bands were observed, consistent with a 2Σ - 2Σ transition at 7088 cm-1 and a 2Π - 2Σ transition at 7108 cm-1, in good accord with the Tarroni and Carter calculation. Progress on the assignment and fitting of the spectra will be reported. Acknowledgements: Work at Brookhaven National Laboratory was carried out under Contract No. DE-SC0012704 with the U.S. Department of Energy, Office of Science, and supported by its Division of Chemical Sciences, Geosciences, and Biosciences. D. Forney, M.E. Jacox, and W.E. Thompson, J. Mol. Spectrosc. 170, 178 (1995). R. Tarroni and S. Carter, Mol. Phys. 102, 2167 (2004)

Controlling Heterogeneous Catalysis of Water Dissociation Using Cu-Ni Bimetallic Alloy Surfaces: A Quantum Dynamics Study.

PubMed

Ray, Dhiman; Ghosh, Smita; Tiwari, Ashwani Kumar

2018-06-07

Copper-Nickel bimetallic alloys are emerging heterogeneous catalysts for water dissociation which is the rate determining step of industrially important Water Gas Shift (WGS) reaction. Yet, the detailed quantum dynamics studies of water-surface scattering in literature are limited to pure metal surfaces. We present here, a three dimensional wave-packet dynamics study of water dissociation on Cu-Ni alloy surfaces, using a pseudo diatomic model of water on a London-Eyring-Polanyi-Sato (LEPS) potential energy surface in order to study the effect of initial vibration, rotation and orientation of water molecule on reactivity. For all the chosen surfaces reactivity increases significantly with vibrational excitation. In general, for lower vibrational states the reactivity increases with increasing rotational excitation but it decreases in higher vibrational states. Molecular orientation strongly affects reactivity by helping the molecule to align along the reaction path at higher vibrational states. For different alloys, the reaction probability follows the trend of barrier heights and the surfaces having all Ni atoms in the uppermost layer are much more reactive than the ones with Cu atoms. Hence the nature of the alloy surface and initial quantum state of the incoming molecule significantly influence the reactivity in surface catalyzed water dissociation.

Simple model for vibration-translation exchange at high temperatures: effects of multiquantum transitions on the relaxation of a N2 gas flow behind a shock.

PubMed

Aliat, A; Vedula, P; Josyula, E

2011-02-01

In this paper a simple model is proposed for computation of rate coefficients related to vibration-translation transitions based on the forced harmonic oscillator theory. This model, which is developed by considering a quadrature method, provides rate coefficients that are in very good agreement with those found in the literature for the high temperature regime (≳10,000 K). This model is implemented to study a one-dimensional nonequilibrium inviscid N(2) flow behind a plane shock by considering a state-to-state approach. While the effects of ionization and chemical reactions are neglected in our study, our results show that multiquantum transitions have a great influence on the relaxation of the macroscopic parameters of the gas flow behind the shock, especially on vibrational distributions of high levels. All vibrational states are influenced by multiquantum processes, but the effective number of transitions decreases inversely according to the vibrational quantum number. For the initial conditions considered in this study, excited electronic states are found to be weakly populated and can be neglected in modeling. Moreover, the computing time is considerably reduced with the model described in this paper compared to others found in the literature. ©2011 American Physical Society

Collision Processes in Methyl Chloride

NASA Astrophysics Data System (ADS)

Pape, Travis W.

Time-resolved, double resonance spectroscopy using infrared pump radiation and millimeter-wave and submillimeter -wave probe radiation (IRMMDR) has been used to study rotational and vibrational collision processes in CH_3 ^{35}Cl and CH_3 ^{37}Cl. A collisional energy transfer model using only five parameters for rotational processes plus those needed for vibrational processes accurately models over 500 IRMMDR time responses for 105 pump-probe combinations, using three pump coincidences and a wide range of probed rotational states. Previous studies in this laboratory revealed that J- and K-changing rotational energy transfer (RET) have vastly different characteristics in CH_3 F. As was found for CH_3F, J-changing rotational collision rates in CH_3 Cl are modeled accurately by both the Statistical Power Gap law and the Infinite Order Sudden approximation using a power law expression for the basis rates. However, in contrast to CH_3F, where all IRMMDR time responses for K-changing collisions have the same shape, many time responses of CH_3 Cl states populated by K-changing collisions contain an additional early-time feature (ETF) that varies with pump and probe state. Nonetheless, a simple generalization of the previously reported model for K-changing collisions is shown to account for all of the additional features observed in CH_3Cl. Rather than observing a fixed temperature for K-changing collisions as was the case for CH_3F, the temperature is found to be a function of time for CH_3 Cl. Moreover, the two new parameters this adds to the RET model are related to known physical quantities. A qualitative argument of K-changing collisions based on a classical picture is offered to explain the difference between the measured J- and K-changing state-to-state rates in CH_3Cl. As was observed in CH_3F, the principal vibrational collision processes are the near -resonant V-swap process, in which two colliding molecules exchange a quantum of vibrational energy, and a nonresonant process that directly moves population from the pumped {bf v}_6 = 1 vibrational state to the {bf v}_3 = 1 vibrational state. A V to T/R process was also measured. Finally, a V-swap process was measured that populates vibrational states of the other isotopic species.

Comparison of Vibrational Relaxation Modeling for Strongly Non-Equilibrium Flows

DTIC Science & Technology

2014-01-01

prediction of radiative emission spectra. I. Introduction Excitation and quenching of vibrational energy modes through collision relaxation is an...restrict the VEDF to the first two excited states. For the combined excitation/ quenching cases (v i = 4), there is a greater probability of a... quenching process than a vibrationally excited collision. This is expected because the initial vibrational energy exceeds 60% of the total collisional energy

Energy transfer of highly vibrationally excited naphthalene: collisions with CHF3, CF4, and Kr.

PubMed

Chen Hsu, Hsu; Tsai, Ming-Tsang; Dyakov, Yuri A; Ni, Chi-Kung

2011-08-07

Energy transfer of highly vibrationally excited naphthalene in the triplet state in collisions with CHF(3), CF(4), and Kr was studied using a crossed-beam apparatus along with time-sliced velocity map ion imaging techniques. Highly vibrationally excited naphthalene (2.0 eV vibrational energy) was formed via the rapid intersystem crossing of naphthalene initially excited to the S(2) state by 266 nm photons. The shapes of the collisional energy-transfer probability density functions were measured directly from the scattering results of highly vibrationally excited naphthalene. In comparison to Kr atoms, the energy transfer in collisions between CHF(3) and naphthalene shows more forward scatterings, larger cross section for vibrational to translational (V → T) energy transfer, smaller cross section for translational to vibrational and rotational (T → VR) energy transfer, and more energy transferred from vibration to translation, especially in the range -ΔE(d) = -100 to -800 cm(-1). On the other hand, the difference of energy transfer properties between collisional partners Kr and CF(4) is small. The enhancement of the V → T energy transfer in collisions with CHF(3) is attributed to the large attractive interaction between naphthalene and CHF(3) (1-3 kcal/mol).

Correlation of vibrational modes and DX-like centers in GaN : O

NASA Astrophysics Data System (ADS)

Wetzel, C.; , J. W. Ager, III; Topf, M.; Meyer, B. K.; Amano, H.; Akasaki, I.

1999-12-01

Vibrational modes in O-doped GaN have been observed at 544 cm-1 in Raman spectroscopy. Under perturbation of large hydrostatic pressure the mode appears as a set of three different lines Q1⋯3 whose relative intensities change by pressure. A switching between the modes occurs near 10 and 20 GPa and is found to correlate with the electron capture process to the DX-like state of O. We employ a simple oscillator model to predict the vibrational frequencies of ON. A localization energy of 23 cm-1 with respect to the optical phonon band is predicted. This is in reasonable agreement with the observed vibrational frequencies. Therefore, we assign the Q modes to the local vibration of O on N site in GaN. Modes Q1⋯3 are tentatively assigned to three different charge states of the O defect center.

Quantum-state-resolved reactivity of overtone excited CH 4 on Ni(111): Comparing experiment and theory

DOE PAGES

Hundt, P. Morten; van Reijzen, Maarten E.; Beck, Rainer D.; ...

2017-02-07

Quantum state resolved reactivity measurements probe the role of vibrational symmetry on the vibrational activation of the dissociative chemisorption of CH 4 on Ni(111). IR-IR double resonance excitation in a molecular beam was used to prepare CH 4 in three different vibrational symmetry components A 1, E, and F 2 of the 2ν 32 antisymmetric stretch overtone vibration as well as in the ν1+ν3 symmetric plus antisymmetric C-H stretch combination band of F 2 symmetry. We measured the quantum state specific dissociation probability S 0 (sticking coefficient) for each of the four vibrational states by detecting chemisorbed carbon on Ni(111)more » as the product of CH 4 dissociation by Auger electron spectroscopy. We also observe strong mode specificity, where S 0 for the most reactive state ν 1+ν 3 is an order of magnitude higher than for the least reactive, more energetic 2ν 3-E state. Our first principles quantum scattering calculations show that as molecules in the ν1 state approach the surface, the vibrational amplitude becomes localized on the reacting C-H bond, making them very reactive. We found that this behavior results from the weakening of the reacting C-H bond as the molecule approaches the surface, decoupling its motion from the three non-reacting C-H stretches. Similarly, we find that overtone normal mode states with more ν 1 character are more reactive: S 0(2ν 1) > S 0(ν 1+ν 3) > S 0(2ν 3). The 2ν 3 eigenstates excited in the experiment can be written as linear combinations of these normal mode states. The highly reactive 2ν 1 and ν 1+ν 3 normal modes, being of A 1 and F 2 symmetry, can contribute to the 2ν 3-A 1 and 2ν 3-F 2 eigenstates, respectively, boosting their reactivity over the E component, which contains no ν 1 character due to symmetry.« less

Vibration training improves disability status in multiple sclerosis: A pretest-posttest pilot study.

PubMed

Yang, Feng; Estrada, Edson F; Sanchez, Maria C

2016-10-15

The purpose of this study was to examine the effects of an 8-week vibration training program on changing the disability level in people with multiple sclerosis (MS). Twenty-five adults with clinically-confirmed MS underwent an 8-week vibration training on a side-alternating vibration platform. The vibration frequency and peak-to-peak displacement were set at 20Hz and 2.6mm, respectively. Prior to and following the training course, the disability status was assessed for all participants characterized by the Patient Determined Disability Steps (PDDS) and MS Functional Composite (MSFC) scores. The training program significantly improved the PDDS (3.66±1.88 vs. 3.05±1.99, p=0.009) and the MSFC scores (0.00±0.62 vs 0.36±0.68, p<0.0001). All three MSFC components were improved: lower extremity function (9.37±4.92 vs. 8.13±4.08s, p=0.011), upper extremity function (dominant hand: 27.81±5.96 vs. 26.20±5.82s, p=0.053; non-dominant hand: 28.47±7.40 vs. 27.43±8.33s, p=0.059), and cognitive function (30.55±13.54 vs. 36.95±15.07 points, p=0.004). Our findings suggested that vibration training could be a promising alternative modality to reduce the disability level among people with MS. Copyright © 2016 Elsevier B.V. All rights reserved.

Metrology of vibration measurements by laser techniques

NASA Astrophysics Data System (ADS)

von Martens, Hans-Jürgen

2008-06-01

Metrology as the art of careful measurement has been understood as uniform methodology for measurements in natural sciences, covering methods for the consistent assessment of experimental data and a corpus of rules regulating application in technology and in trade and industry. The knowledge, methods and tools available for precision measurements can be exploited for measurements at any level of uncertainty in any field of science and technology. A metrological approach to the preparation, execution and evaluation (including expression of uncertainty) of measurements of translational and rotational motion quantities using laser interferometer methods and techniques will be presented. The realization and dissemination of the SI units of motion quantities (vibration and shock) have been based on laser interferometer methods specified in international documentary standards. New and upgraded ISO standards are reviewed with respect to their suitability for ensuring traceable vibration measurements and calibrations in an extended frequency range of 0.4 Hz to higher than 100 kHz. Using adequate vibration exciters to generate sufficient displacement or velocity amplitudes, the upper frequency limits of the laser interferometer methods specified in ISO 16063-11 for frequencies <= 10 kHz can be expanded to 100 kHz and beyond. A comparison of different methods simultaneously used for vibration measurements at 100 kHz will be demonstrated. A statistical analysis of numerous experimental results proves the highest accuracy achievable currently in vibration measurements by specific laser methods, techniques and procedures (i.e. measurement uncertainty 0.05 % at frequencies <= 10 kHz, <= 1 % up to 100 kHz).

Windows in direct dissociative recombination cross sections

NASA Technical Reports Server (NTRS)

Guberman, Steven L.

1986-01-01

Model potential curves are used to show that large windows are present in direct dissociative-recombination cross sections from excited molecular-ion vibrational levels. The windows are due to the overlap of vibrational wave functions of the repulsive neutral states with the nodes of the ion vibrational wave function.

Vibrational Spectroscopy on Photoexcited Dye-Sensitized Films via Pump-Degenerate Four-Wave Mixing.

PubMed

Abraham, Baxter; Fan, Hao; Galoppini, Elena; Gundlach, Lars

2018-03-01

Molecular sensitization of semiconductor films is an important technology for energy and environmental applications including solar energy conversion, photocatalytic hydrogen production, and water purification. Dye-sensitized films are also scientifically complex and interesting systems with a long history of research. In most applications, photoinduced heterogeneous electron transfer (HET) at the molecule/semiconductor interface is of critical importance, and while great progress has been made in understanding HET, many open questions remain. Of particular interest is the role of combined electronic and vibrational effects and coherence of the dye during HET. The ultrafast nature of the process, the rapid intramolecular vibrational energy redistribution, and vibrational cooling present complications in the study of vibronic coupling in HET. We present the application of a time domain vibrational spectroscopy-pump-degenerate four-wave mixing (pump-DFWM)-to dye-sensitized solid-state semiconductor films. Pump-DFWM can measure Raman-active vibrational modes that are triggered by excitation of the sample with an actinic pump pulse. Modifications to the instrument for solid-state samples and its application to an anatase TiO 2 film sensitized by a Zn-porphyrin dye are discussed. We show an effective combination of experimental techniques to overcome typical challenges in measuring solid-state samples with laser spectroscopy and observe molecular vibrations following HET in a picosecond time window. The cation spectrum of the dye shows modes that can be assigned to the linker group and a mode that is localized on the Zn-phorphyrin chromophore and that is connected to photoexcitation.

Determining the Structure of Oxalate Anion Using Infrared and Raman Spectroscopy Coupled with Gaussian Calculations

ERIC Educational Resources Information Center

Peterson, Karen I.; Pullman, David P.

2016-01-01

A laboratory project for the upper-division physical chemistry laboratory is described, and it combines IR and Raman spectroscopies with Gaussian electronic structure calculations to determine the structure of the oxalate anion in solid alkali oxalates and in aqueous solution. The oxalate anion has two limiting structures whose vibrational spectra…

A method for analyzing absorbed power distribution in the hand and arm substructures when operating vibrating tools

NASA Astrophysics Data System (ADS)

Dong, Jennie H.; Dong, Ren G.; Rakheja, Subhash; Welcome, Daniel E.; McDowell, Thomas W.; Wu, John Z.

2008-04-01

In this study it was hypothesized that the vibration-induced injuries or disorders in a substructure of human hand-arm system are primarily associated with the vibration power absorption distributed in that substructure. As the first step to test this hypothesis, the major objective of this study is to develop a method for analyzing the vibration power flow and the distribution of vibration power absorptions in the major substructures (fingers, palm-hand-wrist, forearm and upper arm, and shoulder) of the system exposed to hand-transmitted vibration. A five-degrees-of-freedom model of the system incorporating finger- as well as palm-side driving points was applied for the analysis. The mechanical impedance data measured at the two driving points under four different hand actions involving 50 N grip-only, 15 N grip and 35 N push, 30 N grip and 45 N push, and 50 N grip and 50 N push, were used to identify the model parameters. The vibration power absorption distributed in the substructures were evaluated using vibration spectra measured on many tools. The frequency weightings of the distributed vibration power absorptions were derived and compared with the weighting defined in ISO 5349-1 (2001). This study found that vibration power absorption is primarily distributed in the arm and shoulder when operating low-frequency tools such as rammers, while a high concentration of vibration power absorption in the fingers and hand is observed when operating high-frequency tools, such as grinders. The vibration power absorption distributed in palm-wrist and arm is well correlated with the ISO-weighted acceleration, while the finger vibration power absorption is highly correlated with unweighted acceleration. The finger vibration power absorption-based frequency weighting suggested that exposure to vibration in the frequency range of 16-500 Hz could pose higher risks of developing finger disorders. The results support the use of the frequency weighting specified in the current standard for assessing risks of developing disorders in the palm-wrist-arm substructures. The standardized weighting, however, could overestimate low-frequency effects but greatly underestimate high-frequency effects on the development of finger disorders. The results are further discussed to show that the trends observed in the vibration power absorptions distributed in the substructures are consistent with some major findings of various physiological and epidemiological studies, which provides a support to the hypothesis of this study.

Active vibration control of thin-plate structures with partial SCLD treatment

NASA Astrophysics Data System (ADS)

Lu, Jun; Wang, Pan; Zhan, Zhenfei

2017-02-01

To effectively suppress the low-frequency vibration of a thin-plate, the strategy adopted is to develop a model-based approach to the investigation on the active vibration control of a clamped-clamped plate with partial SCLD treatment. Firstly, a finite element model is developed based on the constitutive equations of elastic, piezoelectric and viscoelastic materials. The characteristics of viscoelastic materials varying with temperature and frequency are described by GHM damping model. A low-dimensional real modal control model which can be used as the basis for active vibration control is then obtained from the combined reduction. The emphasis is placed on the feedback control system to attenuate the vibration of plates with SCLD treatments. A modal controller in conjunction with modal state estimator is designed to solve the problem of full state feedback, making it much more feasible to real-time control. Finally, the theoretical model is verified by modal test, and an active vibration control is validated by hardware-in-the-loop experiment under different external excitations. The numerical and experimental study demonstrate how the piezoelectric actuators actively control the lower modes (first bending and torsional modes) using modal controller, while the higher frequency vibration attenuated by viscoelastic passive damping layer.

Energy transfer in mesoscopic vibrational systems enabled by eigenfrequency fluctuations

NASA Astrophysics Data System (ADS)

Atalaya, Juan

Energy transfer between low-frequency vibrational modes can be achieved by means of nonlinear coupling if their eigenfrequencies fulfill certain nonlinear resonance conditions. Because of the discreteness of the vibrational spectrum at low frequencies, such conditions may be difficult to satisfy for most low-frequency modes in typical mesoscopic vibrational systems. Fluctuations of the vibrational eigenfrequencies can also be relatively strong in such systems. We show that energy transfer between modes can occur in the absence of nonlinear resonance if frequency fluctuations are allowed. The case of three modes with cubic nonlinear coupling and no damping is particularly interesting. It is found that the system has a non-thermal equilibrium state which depends only on the initial conditions. The rate at which the system approaches to such state is determined by the parameters such as the noise strength and correlation time, the nonlinearity strength and the detuning from exact nonlinear resonance. We also discuss the case of many weakly coupled modes. Our results shed light on the problem of energy relaxation of low-frequency vibrational modes into the continuum of high-frequency vibrational modes. The results have been obtained with Mark Dykman. Alternative email: jatalaya2012@gmail.com.

Vibronic relaxation dynamics of o-dichlorobenzene in its lowest excited singlet state

NASA Astrophysics Data System (ADS)

Liu, Benkang; Zhao, Haiyan; Lin, Xiang; Li, Xinxin; Gao, Mengmeng; Wang, Li; Wang, Wei

2018-01-01

Vibronic dynamics of o-dichlorobenzene in its lowest excited singlet state, S1, is investigated in real time by using femtosecond pump-probe method, combined with time-of-flight mass spectroscopy and photoelectron velocity mapping technique. Relaxation processes for the excitation in the range of 276-252 nm can be fitted by single exponential decay model, while in the case of wavelength shorter than 252 nm two-exponential decay model must be adopted for simulating transient profiles. Lifetime constants of the vibrationally excited S1 states change from 651 ± 10 ps for 276 nm excitation to 61 ± 1 ps for 242 nm excitation. Both the internal conversion from the S1 to the highly vibrationally excited ground state S0 and the intersystem crossing from the S1 to the triplet state are supposed to play important roles in de-excitation processes. Exponential fitting of the de-excitation rates on the excitation energy implies such de-excitation process starts from the highly vibrationally excited S0 state, which is validated, by probing the relaxation following photoexcitation at 281 nm, below the S1 origin. Time-dependent photoelectron kinetic energy distributions have been obtained experimentally. As the excitation wavelength changes from 276 nm to 242 nm, different cationic vibronic vibrations can be populated, determined by the Franck-Condon factors between the large geometry distorted excited singlet states and final cationic states.

Quantum teleportation from light beams to vibrational states of a macroscopic diamond

PubMed Central

Hou, P.-Y.; Huang, Y.-Y.; Yuan, X.-X.; Chang, X.-Y.; Zu, C.; He, L.; Duan, L.-M.

2016-01-01

With the recent development of optomechanics, the vibration in solids, involving collective motion of trillions of atoms, gradually enters into the realm of quantum control. Here, building on the recent remarkable progress in optical control of motional states of diamonds, we report an experimental demonstration of quantum teleportation from light beams to vibrational states of a macroscopic diamond under ambient conditions. Through quantum process tomography, we demonstrate average teleportation fidelity (90.6±1.0)%, clearly exceeding the classical limit of 2/3. The experiment pushes the target of quantum teleportation to the biggest object so far, with interesting implications for optomechanical quantum control and quantum information science. PMID:27240553

Coherent coupling of molecular resonators with a microcavity mode

NASA Astrophysics Data System (ADS)

Shalabney, A.; George, J.; Hutchison, J.; Pupillo, G.; Genet, C.; Ebbesen, T. W.

2015-01-01

The optical hybridization of the electronic states in strongly coupled molecule-cavity systems have revealed unique properties, such as lasing, room temperature polariton condensation and the modification of excited electronic landscapes involved in molecular isomerization. Here we show that molecular vibrational modes of the electronic ground state can also be coherently coupled with a microcavity mode at room temperature, given the low vibrational thermal occupation factors associated with molecular vibrations, and the collective coupling of a large ensemble of molecules immersed within the cavity-mode volume. This enables the enhancement of the collective Rabi-exchange rate with respect to the single-oscillator coupling strength. The possibility of inducing large shifts in the vibrational frequency of selected molecular bonds should have immediate consequences for chemistry.

Energy Expenditure and Substrate Oxidation in Response to Side-Alternating Whole Body Vibration across Three Commonly-Used Vibration Frequencies

PubMed Central

Fares, Elie-Jacques; Charrière, Nathalie; Montani, Jean-Pierre; Schutz, Yves; Dulloo, Abdul G.; Miles-Chan, Jennifer L.

2016-01-01

Background and Aim There is increasing recognition about the importance of enhancing energy expenditure (EE) for weight control through increases in low-intensity physical activities comparable with daily life (1.5–4 METS). Whole-body vibration (WBV) increases EE modestly and could present both a useful adjuvant for obesity management and tool for metabolic phenotyping. However, it is unclear whether a “dose-response” exists between commonly-used vibration frequencies (VF) and EE, nor if WBV influences respiratory quotient (RQ), and hence substrate oxidation. We aimed to investigate the EE-VF and RQ-VF relationships across three different frequencies (30, 40, and 50Hz). Methods EE and RQ were measured in 8 healthy young adults by indirect calorimetry at rest, and subsequently during side-alternating WBV at one of 3 VFs (30, 40, and 50 Hz). Each frequency was assessed over 5 cycles of intermittent WBV (30s vibration/30s rest), separated by 5 min seated rest. During the WBV participants stood on the platform with knees flexed sufficiently to maintain comfort, prevent transmission of vibration to the upper body, and minimise voluntary physical exertion. Repeatability was assessed across 3 separate days in a subset of 4 individuals. In order to assess any sequence/habituation effect, an additional group of 6 men underwent 5 cycles of intermittent WBV (30s vibration/30s rest) at 40 Hz, separated by 5 min seated rest. Results Side-alternating WBV increased EE relative to standing, non-vibration levels (+36%, p<0.001). However, no differences in EE were observed across VFs. Similarly, no effect of VF on RQ was found, nor did WBV alter RQ relative to standing without vibration. Conclusion No relationship could be demonstrated between EE and VF in the range of 30-50Hz, and substrate oxidation did not change in response to WBV. Furthermore, the thermogenic effect of intermittent WBV, whilst robust, was quantitatively small (<2 METS). PMID:26974147

Energy Expenditure and Substrate Oxidation in Response to Side-Alternating Whole Body Vibration across Three Commonly-Used Vibration Frequencies.

PubMed

Fares, Elie-Jacques; Charrière, Nathalie; Montani, Jean-Pierre; Schutz, Yves; Dulloo, Abdul G; Miles-Chan, Jennifer L

2016-01-01

There is increasing recognition about the importance of enhancing energy expenditure (EE) for weight control through increases in low-intensity physical activities comparable with daily life (1.5-4 METS). Whole-body vibration (WBV) increases EE modestly and could present both a useful adjuvant for obesity management and tool for metabolic phenotyping. However, it is unclear whether a "dose-response" exists between commonly-used vibration frequencies (VF) and EE, nor if WBV influences respiratory quotient (RQ), and hence substrate oxidation. We aimed to investigate the EE-VF and RQ-VF relationships across three different frequencies (30, 40, and 50Hz). EE and RQ were measured in 8 healthy young adults by indirect calorimetry at rest, and subsequently during side-alternating WBV at one of 3 VFs (30, 40, and 50 Hz). Each frequency was assessed over 5 cycles of intermittent WBV (30s vibration/30s rest), separated by 5 min seated rest. During the WBV participants stood on the platform with knees flexed sufficiently to maintain comfort, prevent transmission of vibration to the upper body, and minimise voluntary physical exertion. Repeatability was assessed across 3 separate days in a subset of 4 individuals. In order to assess any sequence/habituation effect, an additional group of 6 men underwent 5 cycles of intermittent WBV (30s vibration/30s rest) at 40 Hz, separated by 5 min seated rest. Side-alternating WBV increased EE relative to standing, non-vibration levels (+36%, p<0.001). However, no differences in EE were observed across VFs. Similarly, no effect of VF on RQ was found, nor did WBV alter RQ relative to standing without vibration. No relationship could be demonstrated between EE and VF in the range of 30-50Hz, and substrate oxidation did not change in response to WBV. Furthermore, the thermogenic effect of intermittent WBV, whilst robust, was quantitatively small (<2 METS).

Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule

NASA Astrophysics Data System (ADS)

Takayanagi, Toshiyuki; Suzuki, Kento; Yoshida, Takahiko; Kita, Yukiumi; Tachikawa, Masanori

2017-05-01

We present computational results of vibrationally enhanced positron annihilation in the e+ + HCN/DCN collisions within a local complex potential model. Vibrationally elastic and inelastic cross sections and effective annihilation rates were calculated by solving a time-dependent complex-potential Schrödinger equation under the ab initio potential energy surface for the positron attached HCN molecule, [HCN; e+], with multi-component configuration interaction level (Kita and Tachikawa, 2014). We discuss the effect of vibrational excitation on the positron affinities from the obtained vibrational resonance features.

Wave packet and statistical quantum calculations for the He + NeH⁺ → HeH⁺ + Ne reaction on the ground electronic state.

PubMed

Koner, Debasish; Barrios, Lizandra; González-Lezana, Tomás; Panda, Aditya N

2014-09-21

A real wave packet based time-dependent method and a statistical quantum method have been used to study the He + NeH(+) (v, j) reaction with the reactant in various ro-vibrational states, on a recently calculated ab initio ground state potential energy surface. Both the wave packet and statistical quantum calculations were carried out within the centrifugal sudden approximation as well as using the exact Hamiltonian. Quantum reaction probabilities exhibit dense oscillatory pattern for smaller total angular momentum values, which is a signature of resonances in a complex forming mechanism for the title reaction. Significant differences, found between exact and approximate quantum reaction cross sections, highlight the importance of inclusion of Coriolis coupling in the calculations. Statistical results are in fairly good agreement with the exact quantum results, for ground ro-vibrational states of the reactant. Vibrational excitation greatly enhances the reaction cross sections, whereas rotational excitation has relatively small effect on the reaction. The nature of the reaction cross section curves is dependent on the initial vibrational state of the reactant and is typical of a late barrier type potential energy profile.

Vector correlations study of the reaction N(2D)+H2(X1Σg+)→NH(a1Δ)+H(2S) with different collision energies and reagent vibration excitations

NASA Astrophysics Data System (ADS)

Li, Yong-Qing; Zhang, Yong-Jia; Zhao, Jin-Feng; Zhao, Mei-Yu; Ding, Yong

2015-11-01

Vector correlations of the reaction are studied based on a recent DMBE-SEC PES for the first excited state of NH2 [J. Phys. Chem. A 114 9644 (2010)] by using a quasi-classical trajectory method. The effects of collision energy and the reagent initial vibrational excitation on cross section and product polarization are investigated for v = 0-5 and j = 0 states in a wide collision energy range (10-50 kcal/mol). The integral cross section could be increased by H2 vibration excitation remarkably based on the DMBE-SEC PES. The different phenomena of differential cross sections with different collision energies and reagent vibration excitations are explained. Particularly, the NH molecules are scattered mainly in the backward hemisphere at low vibration quantum number and evolve from backward to forward direction with increasing vibration quantum number, which could be explained by the fact that the vibrational excitation enlarges the H-H distance in the entrance channel, thus enhancing the probability of collision between N atom and H atom. A further study on product polarization demonstrates that the collision energy and vibrational excitation of the reagent remarkably influence the distributions of P(θr), P(ϕr), and P(θr, ϕr). Project supported by the National Natural Science Foundation of China (Grant Nos. 11474141 and 11404080), the Special Fund Based Research New Technology of Methanol conversion and Coal Instead of Oil, the China Postdoctoral Science Foundation (Grant No. 2014M550158) , the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry of China (Grant No. 2014-1685), and the Program for Liaoning Excellent Talents in University, China (Grant Nos. LJQ2015040 and LJQ2014001).

State-of-the-Art Review Prediction and Control of Groundborne Noise and Vibration from Rail Transit Trains : Annotated Bibliography

DOT National Transportation Integrated Search

1982-02-01

This interim report presents an annotated bibliography that has been compiled as part of a comprehensive review of the state-of-the-art in the prediction and control of groundborne noise and vibration created by rail transit operations. Included in t...

The effect of vibrational autoionization on the H2+ X 2Σg+ state rotationally resolved photoionization dynamics

NASA Astrophysics Data System (ADS)

Holland, D. M. P.; Shaw, D. A.

2014-01-01

The effect of vibrational autoionization on the H2+ X 2Σg+ v+ = 3, N+ state rotationally resolved photoelectron angular distributions and branching ratios has been investigated with a velocity map imaging spectrometer and synchrotron radiation. In photon excitation regions free from the influence of autoionizing Rydberg states, where direct ionization dominates, the photoelectron anisotropy parameter associated with the X 1Σg+ v″ = 0, N″ = 1 → X 2Σg+ v+ = 3, N+ = 1 transition has a value close to the theoretical maximum. However, in the vicinity of a Rydberg state, vibrational autoionization leads to a substantial reduction in anisotropy. The value of the anisotropy parameter associated with the S-branch of the photoelectron spectrum is found to be considerably higher than that predicted under the assumption that the outgoing electron can be represented solely as a p-wave. This suggests that the f-wave contribution must be taken into account to obtain a proper description of the photoionization dynamics. The observed variations in the rotationally resolved branching ratios, in the vicinity of an autoionizing resonance, depend upon the rotational level of the Rydberg state. The rotationally averaged photoelectron anisotropy parameters have been compared with the corresponding, previously calculated, theoretical results and reasonable agreement has been found. The influence of vibrational autoionization on the H2+ X 2Σg+ v+ = 0, 1, 2, 3 vibrational branching ratios has also been investigated, and the experimental results show that, in energy regions encompassing Rydberg states, these ratios deviate strongly from the Franck-Condon factors for direct ionization.

Millimeter Wave Spectrum and Astronomical Search for Vinyl Formate

NASA Astrophysics Data System (ADS)

Alonso, E. R.; Kolesniková, L.; Tercero, B.; Cabezas, C.; Alonso, J. L.; Cernicharo, J.; Guillemin, J.-C.

2016-11-01

Previous detections of methyl and ethyl formate make other small substituted formates potential candidates for observation in the interstellar medium. Among them, vinyl formate is one of the simplest unsaturated carboxylic ester. The aim of this work is to provide direct experimental frequencies of the ground vibrational state of vinyl formate in a large spectral range for astrophysical use. The room-temperature rotational spectrum of vinyl formate has been measured from 80 to 360 GHz and analyzed in terms of Watson’s semirigid rotor Hamiltonian. Two thousand six hundred transitions within J = 3-88 and K a = 0-28 were assigned to the most stable conformer of vinyl formate and a new set of spectroscopic constants was accurately determined. Spectral features of vinyl formate were then searched for in Orion KL, Sgr B2(N), B1-b, and TMC-1 molecular clouds. Upper limits to the column density of vinyl formate are provided.

Infrared Spectroscopy of the Tropyl Radical in Helium Droplets

DOE PAGES

Kaufmann, Matin; Leicht, Daniel; Havenith, Martina; ...

2016-08-16

Here, the infrared spectrum of themore » $$\\tilde{X}$$ 2E 2" tropyl radical has been recorded in the range of the CH-stretch vibrational modes using the helium droplet isolation technique. Two bands are observed at 3053 and 3058 cm –1. The electronic degeneracy of the ground state results in a Jahn–Teller interaction for two of the CH-stretch modes, i.e., first-order interaction for E 3' symmetry modes and second-order interaction for E 2' symmetry modes. The experimentally observed bands are assigned to the E 1' and E 3' CH-stretch modes. The E 1' mode is infrared-active, whereas the E 3' mode is inactive in the absence of the Jahn–Teller interaction. The transition to the upper component of the Jahn–Teller split E 3' mode gains intensity via vibronic coupling, giving rise to the second experimentally observed band.« less

K-mixing in the doubly mid-shell nuclide 170Dy and the role of vibrational degeneracy

DOE PAGES

Soderstrom, P. -A.; Walker, P. M.; Wu, J.; ...

2016-10-04

Here, a detailed study of the structure of the doubly mid-shell nucleus 170 66Dy 104 has been carried out, following isomeric and β decay. We have measured the yrast band up to the spin-parity J π = 6 + state, the K = 2 γ -vibration band up to the 5 + state, a low-lying negative-parity band based on a 2¯ state that could be a candidate for the lowest energy octupole vibration state within this nucleus, and a candidate for the K π = 6+ two quasi-particle isomer. This state was determined to have an excitation energy of 1643.91(23)more » keV and a half life of 0.99(4) μs, with a reduced hindrance for its decay to the groundstate band an order of magnitude lower than predicted by N pN n systematics. This is interpreted as being due to γ -vibrational mixing from a near degeneracy of the isomer and the 6 + state of the γ band. Furthermore, the parent nucleus 170Tb has been determined to have a half-life of 0.91( +18 –13) s with a possible spin-parity of 2¯.« less

Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111).

PubMed

Geweke, Jan; Shirhatti, Pranav R; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M

2016-08-07

In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed-presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]-50 times smaller than those reported here-were influenced by erroneous assignment of spectroscopic lines used in the data analysis.

Nonlinear finite element modeling of vibration control of plane rod-type structural members with integrated piezoelectric patches

NASA Astrophysics Data System (ADS)

Chróścielewski, Jacek; Schmidt, Rüdiger; Eremeyev, Victor A.

2018-05-01

This paper addresses modeling and finite element analysis of the transient large-amplitude vibration response of thin rod-type structures (e.g., plane curved beams, arches, ring shells) and its control by integrated piezoelectric layers. A geometrically nonlinear finite beam element for the analysis of piezolaminated structures is developed that is based on the Bernoulli hypothesis and the assumptions of small strains and finite rotations of the normal. The finite element model can be applied to static, stability, and transient analysis of smart structures consisting of a master structure and integrated piezoelectric actuator layers or patches attached to the upper and lower surfaces. Two problems are studied extensively: (i) FE analyses of a clamped semicircular ring shell that has been used as a benchmark problem for linear vibration control in several recent papers are critically reviewed and extended to account for the effects of structural nonlinearity and (ii) a smart circular arch subjected to a hydrostatic pressure load is investigated statically and dynamically in order to study the shift of bifurcation and limit points, eigenfrequencies, and eigenvectors, as well as vibration control for loading conditions which may lead to dynamic loss of stability.

Origin of Non-Radiative Voltage Losses in Fullerene-Based Organic Solar Cells

NASA Astrophysics Data System (ADS)

Benduhn, Johannes; Tvingstedt, Kristofer; Piersimoni, Fortunato; Ullbrich, Sascha; Neher, Dieter; Spoltore, Donato; Vandewal, Koen

The open-circuit voltage of organic solar cells (OSCs) is low as compared to the optical gap of the absorber molecules, indicating high energy losses per absorbed photon. These voltage losses arise only partly due to necessity of an electron transfer event to dissociate the excitons. A large part of these voltage losses is due to recombination of photo-generated charge carriers, including inevitable radiative recombination. In this work, we study the non-radiative recombination losses and we find that they increase when the energy difference between charge transfer (CT) state and ground state decreases. This behavior is in agreement with the \\x9Denergy gap law for non-radiative transition\\x9D, which implies that internal conversion from CT state to ground state is facilitated by skeletal molecular vibrations. This intrinsic loss mechanism, which until now has not been thoroughly considered for OSCs, is different in its nature as compared to the commonly considered inorganic photovoltaic loss mechanisms of defect, surface, and Auger recombination. As a consequence, the theoretical upper limit for the power conversion efficiency of a single junction OSC reduces by 25% as compared to the Shockley-Queisser limit for an optimal optical gap of the main absorber between (1.45-1.65) eV.

Ab initio calculation of a global potential, vibrational energies, and wave functions for HCN/HNC, and a simulation of the (A-tilde)-(X-tilde) emission spectrum

NASA Technical Reports Server (NTRS)

Bowman, Joel M.; Gazdy, Bela; Bentley, Joseph A.; Lee, Timothy J.; Dateo, Christopher E.

1993-01-01

A potential energy surface for the HCN/HNC system which is a fit to extensive, high-quality ab initio, coupled-cluster calculations is presented. All HCN and HNC states with energies below the energy of the first delocalized state are reported and characterized. Vibrational transition energies are compared with all available experimental data on HCN and HNC, including high CH-overtone states up to 23,063/cm. A simulation of the (A-tilde)-(X-tilde) stimulated emission pumping (SEP) spectrum is also reported, and the results are compared to experiment. Franck-Condon factors are reported for odd bending states of HCN, with one quantum of vibrational angular momentum, in order to compare with the recent assignment by Jonas et al. (1992), on the basis of axis-switching arguments of a number of previously unassigned states in the SEP spectrum.

A high-pressure carbon dioxide gasdynamic laser

NASA Technical Reports Server (NTRS)

Kuehn, D. M.

1973-01-01

A carbon dioxide gasdynamic laser was operated over a range of reservoir pressure and temperature, test-gas mixture, and nozzle geometry. A significant result is the dominant influence of nozzle geometry on laser power at high pressure. High reservoir pressure can be effectively utilized to increase laser power if nozzle geometry is chosen to efficiently freeze the test gas. Maximum power density increased from 3.3 W/cu cm of optical cavity volume for an inefficient nozzle to 83.4 W/cu cm at 115 atm for a more efficient nozzle. Variation in the composition of the test gas also caused large changes in laser power output. Most notable is the influence of the catalyst (helium or water vapor) that was used to depopulate the lower vibrational state of the carbon dioxide. Water caused an extreme deterioration of laser power at high pressure (100 atm), whereas, at low pressure the laser for the two catalysts approached similar values. It appears that at high pressure the depopulation of the upper laser level of the carbon dioxide by the water predominates over the lower state depopulation, thus destroying the inversion.

Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations

NASA Astrophysics Data System (ADS)

Śmiałek, Malgorzata A.; Łabuda, Marta; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limão-Vieira, Paulo

2017-05-01

The high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3-10.8 eV (290-115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the Earth's upper atmosphere (20-50 km). Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of isobutyl acetate and are compared with a photoelectron spectrum (from 9.5 to 16.7 eV), recorded for the first time. Vibrational structure is observed in the first photoelectron band of this molecule. Contribution to the Topical Issue: "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.

Vibrational structure in the photo-electron spectrum of O2+2Sigma(g)-(sigmag2s)

NASA Technical Reports Server (NTRS)

Gardner, J. L.; Samson, J. A. R.

1974-01-01

Discrete vibrational structure has been observed in the photo-electron spectrum of oxygen at an ionization potential of 40.33 eV. Two levels, attributed to the 02(+) 2 sigma g- final state, have been detected with a vibrational spacing of 0.071 eV.

Dependence of calculated postshock thermodynamic variables on vibrational equilibrium and input uncertainty

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campbell, Matthew Frederick; Owen, Kyle G.; Davidson, David F.

The purpose of this article is to explore the dependence of calculated postshock thermodynamic properties in shock tube experiments upon the vibrational state of the test gas and upon the uncertainties inherent to calculation inputs. This paper first offers a comparison between state variables calculated according to a Rankine–Hugoniot–equation-based algorithm, known as FROSH, and those derived from shock tube experiments on vibrationally nonequilibrated gases. It is shown that incorrect vibrational relaxation assumptions could lead to errors in temperature as large as 8% for 25% oxygen/argon mixtures at 3500 K. Following this demonstration, this article employs the algorithm to show themore » importance of correct vibrational equilibration assumptions, noting, for instance, that errors in temperature of up to about 2% at 3500 K may be generated for 10% nitrogen/argon mixtures if vibrational relaxation is not treated properly. Lastly, this article presents an extensive uncertainty analysis, showing that postshock temperatures can be calculated with root-of-sum-of-square errors of better than ±1% given sufficiently accurate experimentally measured input parameters.« less

Dependence of calculated postshock thermodynamic variables on vibrational equilibrium and input uncertainty

DOE PAGES

Campbell, Matthew Frederick; Owen, Kyle G.; Davidson, David F.; ...

2017-01-30

The purpose of this article is to explore the dependence of calculated postshock thermodynamic properties in shock tube experiments upon the vibrational state of the test gas and upon the uncertainties inherent to calculation inputs. This paper first offers a comparison between state variables calculated according to a Rankine–Hugoniot–equation-based algorithm, known as FROSH, and those derived from shock tube experiments on vibrationally nonequilibrated gases. It is shown that incorrect vibrational relaxation assumptions could lead to errors in temperature as large as 8% for 25% oxygen/argon mixtures at 3500 K. Following this demonstration, this article employs the algorithm to show themore » importance of correct vibrational equilibration assumptions, noting, for instance, that errors in temperature of up to about 2% at 3500 K may be generated for 10% nitrogen/argon mixtures if vibrational relaxation is not treated properly. Lastly, this article presents an extensive uncertainty analysis, showing that postshock temperatures can be calculated with root-of-sum-of-square errors of better than ±1% given sufficiently accurate experimentally measured input parameters.« less

Linking structure and vibrational mode coupling using high-resolution infrared spectroscopy: A comparison of gauche and trans 1-chloro-2-fluoroethane

NASA Astrophysics Data System (ADS)

Miller, C. Cameron; Stone, Stephen C.; Philips, Laura A.

1995-01-01

The high-resolution infrared spectrum of 1-chloro-2-fluoroethane in a molecular beam was collected over the 2975-2994 cm-1 spectral region. The spectral region of 2975-2981 cm-1 contains a symmetric C-H stretching vibrational band of the gauche conformer containing the 35Cl isotope. The spectral region of 2985-2994 cm-1 contains three vibrational bands of the trans conformer. Two of the three bands are assigned as an antisymmetric C-H stretch of each of the two different chlorine isotopes. The third band is assigned as a symmetric C-H stretch of the 35Cl isotope. The gauche conformer of 1-chloro-2-fluoroethane showed doublet patterns similar to those previously observed in 1,2-difluoroethane. The model for 1,2-difluoroethane is further refined in the present work. These refinements suggest that the coupling dark state in 1,2-difluoroethane is composed of 1 quantum C-H bend, 1 quantum C-C stretch, and 12 quanta of torsion. For 1-chloro-2-fluoroethane the dark state could not be identified due to a small data set. The trans conformer of 1-chloro-2-fluoroethane showed no evidence of mode coupling in the three vibrational bands. Including 2-fluoroethanol in this series of molecules, the extent of vibrational mode coupling did not correlate with the density of states available for coupling. Therefore, density of states alone is insufficient to explain the observed trend. A correlation was observed between the degree of intramolecular interaction and vibrational mode coupling.

Wave function delocalization and large-amplitude vibrations of helium on corrugated aromatic microsurfaces: tetracene.He and pentacene.He van der Waals complexes.

PubMed

Xu, Minzhong; Bacić, Zlatko

2007-08-09

We report accurate quantum three-dimensional calculations of highly excited intermolecular vibrational states of the van der Waals (vdW) complexes tetracene.He and pentacene.He in the S1 excited electronic state. The aromatic molecules were taken to be rigid and the intermolecular potential energy surfaces (IPESs) were modeled as a sum of atom-atom Lennard-Jones pair potentials. The IPESs are corrugated in the direction of the long (x) axis of the aromatic molecules, due to the presence of the symmetrically equivalent global double minimum for tetracene.He, and a triple minimum (central global minimum and two equivalent local minima) for pentacene.He, on each side of the aromatic plane. Both IPESs have two additional minor equivalent local minima further away from the center of the molecule. The vdW vibrational states analyzed in this work cover about 80% of the well depths of the IPESs. The mode coupling is generally weak for those states whose out-of-plane (z) mode is unexcited. However, the z-mode fundamental is strongly coupled to the short-axis (y) in-plane mode, so that the pure z-mode excitation could not be identified. The He atom exhibits large in-plane spatial delocalizaton already in the ground vdW vibrational state, which increases rapidly upon the excitation of the in-plane x and y modes, with little hindrance by the corrugation of the aromatic microsurfaces. For the vdW vibrational energies considered, the He atom spatial delocalization reaches Deltax and Deltay values of approximately 5 and 4 A, respectively, and is limited only by the finite size of the aromatic substrates. Side-crossing delocalization of the wave functions on both sides of the molecular plane is found at excitation energies >30 cm(-1), giving rise to the energy splittings of the pairs of states symmetric/antisymmetric with respect to the aromatic plane; the splittings show strong vdW vibrational mode specificity.

Experimental Study of Turning Temperature and Turning Vibration for the Tool of Different Wear State

NASA Astrophysics Data System (ADS)

Li, Shuncai; Yu, Qiu; Yuan, Guanlei; Liang, Li

2018-03-01

By a vibration test device and Vib’SYS analysis system, a three-dimensional piezoelectric acceleration sensor and an infrared thermometer and its collection system, the turning experiments under different spindle speeds were carried out on three cutting tools with different wear states, and the change law of cutting temperature at the tool tip and change law of three-dimensional vibration with turning time were obtained. The results indicate that: (1) The temperature of the initial wear tool and the middle wear tool under a small turning parameter increased slowly with turning time; while under a greater turning parameter, the temperature of the middle wear tool varies significantly with time; (2) The temperature of the severe wear tool increased sharply at the later feeding stage; (3) The change laws of the tools vibration acceleration maximum with the spindle speeds are similar for the initial wear tool and the middle wear tool, which shows a trend of increasing at first and then decreasing; (4) the average value of vibration acceleration self-power spectrum of severe wear tool constantly increase with the spindle speed; (5) the maximum impact is along the radial direction for the tools of different wear state.

Three-dimensional spectroscopy of vibrational energy in liquids: nitromethane and acetonitrile.

PubMed

Sun, Yuxiao; Pein, Brandt C; Dlott, Dana D

2013-12-12

We introduce a novel type of three-dimensional (3D) spectroscopy to study vibrational energy transfer, where an IR pulse tunable through the CH-stretching and CD-stretching regions was used to create parent vibrational excitations in liquids and a visible probe pulse was used to generate both Stokes and anti-Stokes Raman spectra as a function of delay time. The Raman spectra determine how much vibrational excitation was present in each probed state. The three dimensions are the wavenumber of the pumped state, the wavenumber of the probed state, and the time interval. The technique was used to study nitromethane (NM) and acetonitrile (ACN) and their deuterated analogues at ambient temperature. The 3D spectra were quite complicated. Three types of artifacts due to nonlinear light scattering were observed. Along the diagonal were two fundamental CH-stretch (or CD-stretch) transitions and several weaker combination bands or overtone transitions. Because Raman spectroscopy allows us to simultaneously probe a wide wavenumber region, for every diagonal peak, there were ∼10 off-diagonal peaks. The cross-peaks at shorter delay times reveal the nature of the initial excitation by showing which lower-wavenumber excitations were produced along with the pumped CH-stretch or CD-stretch. The longer-time spectra characterized vibrational energy relaxation processes, and showed how daughter vibrations were generated by different parent excitations.

An examination of an adapter method for measuring the vibration transmitted to the human arms.

PubMed

Xu, Xueyan S; Dong, Ren G; Welcome, Daniel E; Warren, Christopher; McDowell, Thomas W

2015-09-01

The objective of this study is to evaluate an adapter method for measuring the vibration on the human arms. Four instrumented adapters with different weights were used to measure the vibration transmitted to the wrist, forearm, and upper arm of each subject. Each adapter was attached at each location on the subjects using an elastic cloth wrap. Two laser vibrometers were also used to measure the transmitted vibration at each location to evaluate the validity of the adapter method. The apparent mass at the palm of the hand along the forearm direction was also measured to enhance the evaluation. This study found that the adapter and laser-measured transmissibility spectra were comparable with some systematic differences. While increasing the adapter mass reduced the resonant frequency at the measurement location, increasing the tightness of the adapter attachment increased the resonant frequency. However, the use of lightweight (≤15 g) adapters under medium attachment tightness did not change the basic trends of the transmissibility spectrum. The resonant features observed in the transmissibility spectra were also correlated with those observed in the apparent mass spectra. Because the local coordinate systems of the adapters may be significantly misaligned relative to the global coordinates of the vibration test systems, large errors were observed for the adapter-measured transmissibility in some individual orthogonal directions. This study, however, also demonstrated that the misalignment issue can be resolved by either using the total vibration transmissibility or by measuring the misalignment angles to correct the errors. Therefore, the adapter method is acceptable for understanding the basic characteristics of the vibration transmission in the human arms, and the adapter-measured data are acceptable for approximately modeling the system.

An examination of an adapter method for measuring the vibration transmitted to the human arms

PubMed Central

Xu, Xueyan S.; Dong, Ren G.; Welcome, Daniel E.; Warren, Christopher; McDowell, Thomas W.

2016-01-01

The objective of this study is to evaluate an adapter method for measuring the vibration on the human arms. Four instrumented adapters with different weights were used to measure the vibration transmitted to the wrist, forearm, and upper arm of each subject. Each adapter was attached at each location on the subjects using an elastic cloth wrap. Two laser vibrometers were also used to measure the transmitted vibration at each location to evaluate the validity of the adapter method. The apparent mass at the palm of the hand along the forearm direction was also measured to enhance the evaluation. This study found that the adapter and laser-measured transmissibility spectra were comparable with some systematic differences. While increasing the adapter mass reduced the resonant frequency at the measurement location, increasing the tightness of the adapter attachment increased the resonant frequency. However, the use of lightweight (≤15 g) adapters under medium attachment tightness did not change the basic trends of the transmissibility spectrum. The resonant features observed in the transmissibility spectra were also correlated with those observed in the apparent mass spectra. Because the local coordinate systems of the adapters may be significantly misaligned relative to the global coordinates of the vibration test systems, large errors were observed for the adapter-measured transmissibility in some individual orthogonal directions. This study, however, also demonstrated that the misalignment issue can be resolved by either using the total vibration transmissibility or by measuring the misalignment angles to correct the errors. Therefore, the adapter method is acceptable for understanding the basic characteristics of the vibration transmission in the human arms, and the adapter-measured data are acceptable for approximately modeling the system. PMID:26834309

Dual Approach to Vibrational Spectra in Solution: Microscopic Influence of Hydrogen Bonding to the State of Motion of Glycine in Water.

PubMed

Kitamura, Yukichi; Takenaka, Norio; Koyano, Yoshiyuki; Nagaoka, Masataka

2014-08-12

We have proposed a new theoretical methodology to clarify the microscopic nature of the vibrational properties in solution, which consists of a combination of the vibrational frequency analyses (VFAs) with two kinds of Hessian matrices, that is, the effective Hessian on the free energy surface (free energy Hessian: "FE-Hessian") and the instantaneous one (instantaneous normal mode Hessian: "INM-Hessian") within QM/MM framework. In these VFAs, the Hessians were obtained by the analytical approach, having the advantages from the aspect of both the computational efficiency and accuracy in comparison to those obtained by the numerical one. In the present study, we have applied them to the glycine aqueous solution. First, by using the VFA with the FE-Hessian (VFA-FEH), we estimated the vibrational frequency shifts induced by solvent water molecules. The calculated values were quantitatively in agreement with experimental ones. It was clearly demonstrated that such vibrational shifts are attributed to not only the structural relaxation but also the explicit solute-solvent interactions (i.e., interatomic interactions). Second, by using the VFA with the INM-Hessian (VFA-INMH), the vibrational spectra in solution were investigated through the vibrational INM densities of states (DOS). By the comparison between the spectroscopic features and the microscopic solvation structure around glycine molecule, it was found that the frequency shifts and bandwidths in IR spectra are closely correlated with the hydrogen bonding (HB) network formations. In particular, the instantaneous changes of vibrational states of the hydroxyl group and carbonyl one, showing apparently inverse tendency on the strength of the HB interaction, can be explained very well on the basis of two different mechanisms, that is, the direct change of electron density in the bonding orbitals and the indirect one due to hyperconjugation between the lone electron pair and the antibonding orbitals, respectively. In conclusion, the present dual VFA approach is a quite useful strategy to interpret the microscopic origin of the experimental vibrational spectra.

Performance of a circular cylinder piezoelectric wind energy harvester fitted with a splitter plate

NASA Astrophysics Data System (ADS)

Song, Jie; Hu, Gang; Tse, K. T.; Li, S. W.; Kwok, K. C. S.

2017-11-01

This study examines effects of the splitter plate placed in the near wake of a circular cylinder on the performance of a piezoelectric wind energy harvester through wind tunnel experiments. The kinetic energy of the harvester is gained by wind-induced vibrations of the circular cylinder. The splitter plate is attached to the leeward side of the cylinder. The ratio of the splitter plate length to the diameter of the circular cylinder (Lsp/D) ranges from 0.25 to 2.00. After attaching the splitter plate with an appropriate length, the harvester is able to sustain large amplitude vibrations beyond the wind speed range corresponding to vortex-induced vibrations. Thus, the upper bound of the wind speed range for the harvester to harness wind energy is eliminated, which significantly increases the efficiency of the harvester. Compared to the different lengths of the splitter plate, 0.65D has been found to be the optimal length for maximizing the harvested power.

Applicability of Quantum Thermal Baths to Complex Many-Body Systems with Various Degrees of Anharmonicity.

PubMed

Hernández-Rojas, Javier; Calvo, Florent; Noya, Eva Gonzalez

2015-03-10

The semiclassical method of quantum thermal baths by colored noise thermostats has been used to simulate various atomic systems in the molecular and bulk limits, at finite temperature and in moderately to strongly anharmonic regimes. In all cases, the method performs relatively well against alternative approaches in predicting correct energetic properties, including in the presence of phase changes, provided that vibrational delocalization is not too strong-neon appearing already as an upper limiting case. In contrast, the dynamical behavior inferred from global indicators such as the root-mean-square bond length fluctuation index or the vibrational spectrum reveals more marked differences caused by zero-point energy leakage, except in the case of isolated molecules with well separated vibrational modes. To correct for such deficiencies and reduce the undesired transfer among modes, empirical modifications of the noise power spectral density were attempted to better describe thermal equilibrium but still failed when used as semiclassical preparation for microcanonical trajectories.

Hydrogen cyanide in comets - Excitation conditions and radio observations of comet IRAS-Araki-Alcock 1983d

NASA Technical Reports Server (NTRS)

Bockelee-Morvan, D.; Crovisier, J.; Baudry, A.; Despois, D.; Perault, M.; Irvine, W. M.; Schloerb, F. P.; Swade, D.

1984-01-01

The HCN emission of the pure rotation and rotation/vibration lines in comet IRAS-Araki-Alcock 1983d is examined. The prevailing excitation mechanism for the emissions was the excitation of the nu-2, 2 nu-2, and nu-3 vibrational bands by the solar infrared field. For the description of inner coma, a dynamical excitation model is presented which includes collisions. It is predicted on the basis of the model that HCN molecules in rotation and rotation vibration lines of IRAS-Araki-Alcock 1983d would be detectable with a large-millimeter wave telescope, and that the strongest infrared lines would be observable from space observatories. Subsequent searches for the J = 1-0 HCN radio lines in comet 1983d with the Five College Radio Astronomy Observatory (FCRAO) proved unsuccessful. An extremely low upper limit was found for HCN production which suggests that HCN might not be the only parent of planetary cometary CN.

Flow Induced Vibration Program at Argonne National Laboratory

NASA Astrophysics Data System (ADS)

1984-01-01

The Argonne National Laboratory's Flow Induced Vibration Program, currently residing in the Laboratory's Components Technology Division is discussed. Throughout its existence, the overall objective of the program was to develop and apply new and/or improved methods of analysis and testing for the design evaluation of nuclear reactor plant components and heat exchange equipment from the standpoint of flow induced vibration. Historically, the majority of the program activities were funded by the US Atomic Energy Commission, the Energy Research and Development Administration, and the Department of Energy. Current DOE funding is from the Breeder Mechanical Component Development Division, Office of Breeder Technology Projects; Energy Conversion and Utilization Technology Program, Office of Energy Systems Research; and Division of Engineering, Mathematical and Geosciences, office of Basic Energy Sciences. Testing of Clinch River Breeder Reactor upper plenum components was funded by the Clinch River Breeder Reactor Plant Project Office. Work was also performed under contract with Foster Wheeler, General Electric, Duke Power Company, US Nuclear Regulatory Commission, and Westinghouse.

A laboratory study on the dissociative recombination of vibrationally excited O2/+/ions

NASA Technical Reports Server (NTRS)

Zipf, E. C.

1980-01-01

The dissociative recombination of vibrationally excited O2(+) ions is studied in light of the possible importance of this reaction in upper atmospheric chemistry. A plasma spectroscopy experiment was performed in a microwave cavity filled by an argon-oxygen mixture, with O(1S) production monitored by measurements of the 5577-A afterglow, the O2(+) density and the electron concentration. Plasma and optical data reveal the predominant afterglow ions to be Ar2(+) and O2(+), with an effective O(1S) dissociative recombination coefficient of 2.1 x 10 to the -8th cu cm/sec, corresponding to a quantum yield of 10%. Experiments with an argon-krypton-oxygen mixture reveal that vibrationally excited O2(+) ions are the chief source of the O(1S) atoms, with a specific recombination coefficient for the dissociation of O2(+)(2 pi g) into O(1S) and O(1D) of 4.2 x 10 to the -9th cu cm/sec. A comparison of the laboratory results with Atmospheric Explorer data on the 5577-A airglow implies that O2(+) ions in the sunlit ionosphere are vibrationally excited to the same degree as in the laboratory, with the vibrational relaxation of these ions much slower than dissociative recombination. Results also predict a dawn-twilight asymmetry in the effective O(1S) yield due to the normal variation of electron content.

An improved biomechanical model for simulating the strain of the hand-arm system under vibration stress.

PubMed

Fritz, M

1991-01-01

In order to define relationships between the vibration stress and the strain of the human hand-arm system a biomechanical model was developed. The four masses of the model representing the hand, the forearm and the upper arm were connected by dampers and springs in two perpendicular directions. Simulating muscle activity, damped torsion springs were included additionally. The motions of the model were described by a differential matrix equation which was solved by using a 'transfer matrix routine' as well as by numerical integration. Thus, functions with harmonic or transient time courses could be selected as an excitation. The simulated vibrations were compared with those of other hand-arm models. The forces and torques transmitted between the masses, and the energy dissipated by the dampers were computed for several combinations of exciter frequencies and accelerations. The dependence of torques upon excitation agreed fairly well with the behaviour of the arm muscles under vibration as described by various investigators. At frequencies above 100 Hz the energy was dissipated mainly by the dampers between the masses near to the exciter. Transferring this result to the hand-arm system it shows that at high frequencies energy is dissipated by the hand and its palmar tissues and this might be one cause for the incidence of vibration-induced white finger disease.

Torsion-inversion tunneling patterns in the CH-stretch vibrationally excited states of the G12 family of molecules including methylamine.

PubMed

Dawadi, Mahesh B; Bhatta, Ram S; Perry, David S

2013-12-19

Two torsion-inversion tunneling models (models I and II) are reported for the CH-stretch vibrationally excited states in the G12 family of molecules. The torsion and inversion tunneling parameters, h(2v) and h(3v), respectively, are combined with low-order coupling terms involving the CH-stretch vibrations. Model I is a group theoretical treatment starting from the symmetric rotor methyl CH-stretch vibrations; model II is an internal coordinate model including the local-local CH-stretch coupling. Each model yields predicted torsion-inversion tunneling patterns of the four symmetry species, A, B, E1, and E2, in the CH-stretch excited states. Although the predicted tunneling patterns for the symmetric CH-stretch excited state are the same as for the ground state, inverted tunneling patterns are predicted for the asymmetric CH-stretches. The qualitative tunneling patterns predicted are independent of the model type and of the particular coupling terms considered. In model I, the magnitudes of the tunneling splittings in the two asymmetric CH-stretch excited states are equal to half of that in the ground state, but in model II, they differ when the tunneling rate is fast. The model predictions are compared across the series of molecules methanol, methylamine, 2-methylmalonaldehyde, and 5-methyltropolone and to the available experimental data.

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low-lying states of the CO+ cation

NASA Astrophysics Data System (ADS)

Xing, Wei; Shi, Deheng; Zhang, Jicai; Sun, Jinfeng; Zhu, Zunlue

2018-05-01

This paper calculates the potential energy curves of 21 Λ-S and 42 Ω states, which arise from the first two dissociation asymptotes of the CO+ cation. The calculations are conducted using the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with the Davidson correction. To improve the reliability and accuracy of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are taken into account. The spectroscopic parameters and vibrational levels are determined. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is evaluated. To better study the transition probabilities, the transition dipole moments are computed. The Franck-Condon factors and Einstein coefficients of some emissions are calculated. The radiative lifetimes are determined for a number of vibrational levels of several states. The transitions between different Λ-S states are evaluated. Spectroscopic routines for observing these states are proposed. The spectroscopic parameters, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very reliable and can be used as guidelines for detecting these states in an appropriate spectroscopy experiment, especially for the states that were very difficult to observe or were not detected in previous experiments.

Spectroscopy of selected metal-containing diatomic molecules

NASA Astrophysics Data System (ADS)

Gordon, Iouli E.

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X7Sigma+ electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH, and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm-1. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant oe for MnH was found to be 1546.84518(65) cm-1, the equilibrium rotational constant Be was found to be 5.6856789(103) cm-1 and the equilibrium bond distance re was determined to be 1.7308601(47) A. New high resolution emission spectra of CoH and CoD molecules have been recorded in the 640 nm to 3.5 mum region using a Fourier transform spectrometer. Many bands were observed for the A'3phi- X3phi electronic transition of CoH and CoD. In addition, a new [13.3]4 electronic state was found by observing the [13.3]4-X3phi3 and [13.3]4- X3phi4 transitions in the spectrum of CoD. Analysis of the transitions with DeltaO = 0, +/-1 provided more accurate values of spin-orbit splittings between O = 4 and O = 3 components. The ground state for both molecules was fitted both to band and Dunham-type constants. The estimated band constants of the perturbed upper states were also obtained. The emission spectrum of gas-phase YbO has been investigated using a Fourier transform spectrometer. A total of 8 red-degraded bands in the range 9 800--11 300 cm-1 were recorded at a resolution of 0.04 cm-1. Because of the multiple isotopomers present in the spectra, only 3 bands were rotationally analyzed. Perturbations were identified in two of these bands and all 3 transitions were found to terminate at the X1Sigma+ ground electronic state. The electronic configurations that give rise to the observed states are discussed and molecular parameters for all of the analyzed bands are reported. Electronic spectra of the previously unobserved EuH and EuD molecules were studied by means of Fourier transform spectroscopy and laser-induced fluorescence. The extreme complexity of these transitions made rotational assignments of EuH bands impossible. However, the spin-spin interaction constant, lambda, and Fermi contact parameter, bF, in the ground X9Sigma- electronic state were estimated for the 151EuH and 153EuH isotopologues. Electronic spectra of SmH, SmCl, TmH and ErF molecules were recorded for the first time using Fourier transform spectrometer. The poor signal to noise ratio of the observed bands coupled with their complexity prevented a rotational analysis. The electronic states that may be involved in the observed transitions are discussed.

Spectroscopy of selected metal-containing diatomic molecules

NASA Astrophysics Data System (ADS)

Gordon, Iouli

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X7[sigma]+ electronic state. The vibration-rotation bands from v = 1 to 0 to v = 3 to 2 for MnH, and from v = 1 to 0 to v = 4 to 3 for MnD were recorded at an instrumental resolution of 0. 0085 cm-1. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant [omega]e for MnH was found to be 1546. 84518(65) cm-1, the equilibrium rotational constant Be was found to be 5. 6856789(103) cm-1 and the equilibrium bond distance re was determined to be 1. 7308601(47) ?. New high resolution emission spectra of CoH and CoD molecules have been recorded in the 640 nm to 3. 5 _m region using a Fourier transform spectrometer. Many bands were observed for the A'3?-X3? electronic transition of CoH and CoD. In addition, a new [13. 3]4 electronic state was found by observing the [13. 3]4- X3?3 and [13. 3]4-X3?4 transitions in the spectrum of CoD. Analysis of the transitions with [delta][omega] = 0, ?1 provided more accurate values of spin-orbit splittings between [omega] = 4 and [omega] = 3 components. The ground state for both molecules was fitted both to band and Dunham-type constants. The estimated band constants of the perturbed upper states were also obtained. The emission spectrum of gas-phase YbO has been investigated using a Fourier transform spectrometer. A total of 8 red-degraded bands in the range 9 800 ? 11 300 cm-1 were recorded at a resolution of 0. 04 cm-1. Because of the multiple isotopomers present in the spectra, only 3 bands were rotationally analyzed. Perturbations were identified in two of these bands and all 3 transitions were found to terminate at the X1[sigma]+ ground electronic state. The electronic configurations that give rise to the observed states are discussed and molecular parameters for all of the analyzed bands are reported. Electronic spectra of the previously unobserved EuH and EuD molecules were studied by means of Fourier transform spectroscopy and laser-induced fluorescence. The extreme complexity of these transitions made rotational assignments of EuH bands impossible. However, the spin-spin interaction constant, [lambda], and Fermi contact parameter, bF, in the ground X9[sigma]- electronic state were estimated for the 151EuH and 153EuH isotopologues. Electronic spectra of SmH, SmCl, TmH and ErF molecules were recorded for the first time using Fourier transform spectrometer. The poor signal to noise ratio of the observed bands coupled with their complexity prevented a rotational analysis. The electronic states that may be involved in the observed transitions are discussed.

Theory and Normal Mode Analysis of Change in Protein Vibrational Dynamics on Ligand Binding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mortisugu, Kei; Njunda, Brigitte; Smith, Jeremy C

2009-12-01

The change of protein vibrations on ligand binding is of functional and thermodynamic importance. Here, this process is characterized using a simple analytical 'ball-and-spring' model and all-atom normal-mode analysis (NMA) of the binding of the cancer drug, methotrexate (MTX) to its target, dihydrofolate reductase (DHFR). The analytical model predicts that the coupling between protein vibrations and ligand external motion generates entropy-rich, low-frequency vibrations in the complex. This is consistent with the atomistic NMA which reveals vibrational softening in forming the DHFR-MTX complex, a result also in qualitative agreement with neutron-scattering experiments. Energy minimization of the atomistic bound-state (B) structure whilemore » gradually decreasing the ligand interaction to zero allows the generation of a hypothetical 'intermediate' (I) state, without the ligand force field but with a structure similar to that of B. In going from I to B, it is found that the vibrational entropies of both the protein and MTX decrease while the complex structure becomes enthalpically stabilized. However, the relatively weak DHFR:MTX interaction energy results in the net entropy gain arising from coupling between the protein and MTX external motion being larger than the loss of vibrational entropy on complex formation. This, together with the I structure being more flexible than the unbound structure, results in the observed vibrational softening on ligand binding.« less

Optimizing parameter of particle damping based on Leidenfrost effect of particle flows

NASA Astrophysics Data System (ADS)

Lei, Xiaofei; Wu, Chengjun; Chen, Peng

2018-05-01

Particle damping (PD) has strongly nonlinearity. With sufficiently vigorous vibration conditions, it always plays excellent damping performance and the particles which are filled into cavity are on Leidenfrost state considered in particle flow theory. For investigating the interesting phenomenon, the damping effect of PD on this state is discussed by the developed numerical model which is established based on principle of gas and solid. Furtherly, the numerical model is reformed and applied to study the relationship of Leidenfrost velocity with characteristic parameters of PD such as particle density, diameter, mass packing ratio and diameter-length ratio. The results indicate that particle density and mass packing ratio can drastically improve the damping performance as opposed as particle diameter and diameter-length ratio, mass packing ratio and diameter-length ratio can low the excited intensity for Leidenfrost state. For discussing the application of the phenomenon in engineering, bound optimization by quadratic approximation (BOBYQA) method is employed to optimize mass packing ratio of PD for minimize maximum amplitude (MMA) and minimize total vibration level (MTVL). It is noted that the particle damping can drastically reduce the vibrating amplitude for MMA as Leidenfrost velocity equal to the vibrating velocity relative to maximum vibration amplitude. For MTVL, larger mass packing ratio is best option because particles at relatively wide frequency range is adjacent to Leidenfrost state.

The ν 1 and ν 3 band system of 15NH3

NASA Astrophysics Data System (ADS)

Fusina, Luciano; Nivellini, Giandomenico; Spezzano, Silvia

2011-09-01

The infrared spectrum of 15NH3 has been investigated by high-resolution Fourier transform infrared spectroscopy in the region of the stretching fundamentals. A large number of ro-vibration transitions in the 3050-3650 cm-1 spectral range has been recorded and assigned to the fundamentals ν 1 and ν 3, and to the 2ν 4 overtone bands. In total, 1606 transitions involving the (s) and (a) inversion-rotation-vibration levels have been identified and assigned. They include 256 perturbation-allowed transitions with selection rules ΔK = ±2, Δl = -1 in ν 3 and Δl = +2 in ? , and ΔK = ±3, Δl = 0 in ν 1 and ? . All assigned transitions were fitted simultaneously to a model Hamiltonian that includes all symmetry-allowed interactions between and within the excited state levels in order to obtain accurate sets of spectroscopic parameters for both inversion states. The standard deviation of the fit, 0.034 cm-1, is about 70 times larger than the estimated measurement precision. This result is similar to that reported for the same band system in 14NH3 by Kleiner et al. [J. Mol. Spectrosc. 193, 46 (1999)] and is a consequence of the neglect of vibration and ro-vibration interactions between the analysed states and vibrationally excited states with close energies.

On the bonding mechanism of CO to Pt(111) and its effect on the vibrational frequency of chemisorbed CO

NASA Astrophysics Data System (ADS)

Illas, F.; Zurita, S.; Márquez, A. M.; Rubio, J.

1997-04-01

The chemisorption of CO on the atop site of Pt(111) has been simulated by a Pt4 cluster model. Ab initio self consistent field (SCF) and complete active space self consistent field (CASSCF) cluster model wave functions have been obtained for the electronic ground state. Likewise, ab initio SCF wavefunctions have been obtained for two other electronic states. The optimum geometry and vibrational frequencies of chemisorbed CO are reported for the three states. The interaction energy and vibrational shift of chemisorbed CO, with respect to free gas phase CO, have been analyzed for the three electronic states. This analysis is carried out by means of the constrained space orbital variation (CSOV) method. In all cases the bond is found to be dominated by σ donation and π back-donation, known as Blyholder's mechanism. This mechanism is further supported by SCF calculations on a larger, Pt13, cluster model. For both clusters, the CSOV analysis of the vibrational frequency definitely shows that, contrary to previous recent studies, a major contribution to the experimentally observed vibrational shift comes from the π back-donation mechanism. However, we found that, contrary to common belief, σ donation also acts to lower the CO frequency and not to increase it. Physical reasons for such unexpected behaviour are given.

Ultrafast Relaxation Dynamics of Photoexcited Zinc-Porphyrin: Electronic-Vibrational Coupling

DOE PAGES

Abraham, Baxter; Nieto-Pescador, Jesus; Gundlach, Lars

2016-08-02

Cyclic tetrapyrroles are the active core of compounds with crucial roles in living systems, such as hemoglobin and chlorophyll, and in technology as photocatalysts and light absorbers for solar energy conversion. Zinc-tetraphenylporphyrin (Zn-TPP) is a prototypical cyclic tetrapyrrole that has been intensely studied in past decades. Because of its importance for photochemical processes the optical properties are of particular interest, and, accordingly, numerous studies have focused on light absorption and excited-state dynamics of Zn-TPP. Relaxation after photoexcitation in the Soret band involves internal conversion that is preceded by an ultrafast process. This relaxation process has been observed by several groups.more » Until now, it has not been established if it involves a higher lying ”dark” state or vibrational relaxation in the excited S 2 state. Here we combine high time resolution electronic and vibrational spectroscopy to show that this process constitutes vibrational relaxation in the anharmonic 2 potential.« less

Ultrafast Relaxation Dynamics of Photoexcited Zinc-Porphyrin: Electronic-Vibrational Coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abraham, Baxter; Nieto-Pescador, Jesus; Gundlach, Lars

Cyclic tetrapyrroles are the active core of compounds with crucial roles in living systems, such as hemoglobin and chlorophyll, and in technology as photocatalysts and light absorbers for solar energy conversion. Zinc-tetraphenylporphyrin (Zn-TPP) is a prototypical cyclic tetrapyrrole that has been intensely studied in past decades. Because of its importance for photochemical processes the optical properties are of particular interest, and, accordingly, numerous studies have focused on light absorption and excited-state dynamics of Zn-TPP. Relaxation after photoexcitation in the Soret band involves internal conversion that is preceded by an ultrafast process. This relaxation process has been observed by several groups.more » Until now, it has not been established if it involves a higher lying ”dark” state or vibrational relaxation in the excited S 2 state. Here we combine high time resolution electronic and vibrational spectroscopy to show that this process constitutes vibrational relaxation in the anharmonic 2 potential.« less

Long-lived K isomer and enhanced γ vibration in the neutron-rich nucleus 172Dy: Collectivity beyond double midshell

NASA Astrophysics Data System (ADS)

Watanabe, H.; Zhang, G. X.; Yoshida, K.; Walker, P. M.; Liu, J. J.; Wu, J.; Regan, P. H.; Söderström, P.-A.; Kanaoka, H.; Korkulu, Z.; Lee, P. S.; Nishimura, S.; Yagi, A.; Ahn, D. S.; Alharbi, T.; Baba, H.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chae, K. Y.; Dombradi, Zs.; Doornenbal, P.; Estrade, A.; Fukuda, N.; Griffin, C.; Ideguchi, E.; Inabe, N.; Isobe, T.; Kanaya, S.; Kojouharov, I.; Kondev, F. G.; Kubo, T.; Kubono, S.; Kurz, N.; Kuti, I.; Lalkovski, S.; Lane, G. J.; Lee, C. S.; Lee, E. J.; Lorusso, G.; Lotay, G.; Moon, C.-B.; Nishizuka, I.; Nita, C. R.; Odahara, A.; Patel, Z.; Phong, V. H.; Podolyák, Zs.; Roberts, O. J.; Sakurai, H.; Schaffner, H.; Shand, C. M.; Shimizu, Y.; Sumikama, T.; Suzuki, H.; Takeda, H.; Terashima, S.; Vajta, Zs.; Valiente-Dóbon, J. J.; Xu, Z. Y.

2016-09-01

The level structure of 172Dy has been investigated for the first time by means of decay spectroscopy following in-flight fission of a 238U beam. A long-lived isomeric state with T1/2 = 0.71 (5) s and Kπ =8- has been identified at 1278 keV, which decays to the ground-state and γ-vibrational bands through hindered electromagnetic transitions, as well as to the daughter nucleus 172Ho via allowed β decays. The robust nature of the Kπ =8- isomer and the ground-state rotational band reveals an axially-symmetric structure for this nucleus. Meanwhile, the γ-vibrational levels have been identified at unusually low excitation energy compared to the neighboring well-deformed nuclei, indicating the significance of the microscopic effect on the non-axial collectivity in this doubly mid-shell region. The underlying mechanism of enhanced γ vibration is discussed in comparison with the deformed Quasiparticle Random-Phase Approximation based on a Skyrme energy-density functional.

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

DOE PAGES

Nelson, Tammie R.; Ondarse-Alvarez, Dianelys; Oldani, Nicolas; ...

2018-06-13

Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble ofmore » trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.« less

Analysis of Franck-Condon factors for CO+ molecule using the Fourier Grid Hamiltonian method

NASA Astrophysics Data System (ADS)

Syiemiong, Arnestar; Swer, Shailes; Jha, Ashok Kumar; Saxena, Atul

2018-04-01

Franck-Condon factors (FCFs) are important parameters and it plays a very important role in determining the intensities of the vibrational bands in electronic transitions. In this paper, we illustrate the Fourier Grid Hamiltonian (FGH) method, a relatively simple method to calculate the FCFs. The FGH is a method used for calculating the vibrational eigenvalues and eigenfunctions of bound electronic states of diatomic molecules. The obtained vibrational wave functions for the ground and the excited states are used to calculate the vibrational overlap integral and then the FCFs. In this computation, we used the Morse potential and Bi-Exponential potential model for constructing and diagonalizing the molecular Hamiltonians. The effects of the change in equilibrium internuclear distance (xe), dissociation energy (De), and the nature of the excited state electronic energy curve on the FCFs have been determined. Here we present our work for the qualitative analysis of Franck-Condon Factorsusing this Fourier Grid Hamiltonian Method.

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Tammie R.; Ondarse-Alvarez, Dianelys; Oldani, Nicolas

Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble ofmore » trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.« less

Maximum mistuning amplification of the forced response vibration of turbomachinery rotors in the presence of aerodynamic damping

NASA Astrophysics Data System (ADS)

Martel, Carlos; Sánchez-Álvarez, J. J.

2017-06-01

Mistuning can dangerously increase the vibration amplitude of the forced response of a turbomachinery rotor. In the case of damping coming from aerodynamic effects the situation is more complicated because the magnitude of the damping changes for the different travelling wave modes of the system. This damping variability modifies the effect of mistuning, and it can even result in a reduction of the mistuned forced response amplitude below that of the tuned case (this is not possible in the usual case of constant material damping). In this paper the Asymptotic Mistuning Model (AMM) methodology is used to analyze this situation. The AMM is a reduced order model that is systematically derived from the mistuned bladed disk full model using a perturbative procedure based on the small size of the mistuning and the damping. The AMM allows to derive a very simple expression for an upper bound of the maximum amplification factor of the vibration amplitude that the system can experience (an extension of the well known Whitehead 1966 result to include the effect of non-uniform aerodamping). This new upper bound gives information on the mechanisms involved in the amplification/reduction of the mistuned response: (i) the number of modes participating in the response, and (ii) the ratio between the aerodamping of the directly forced mode and that of the of the rest of the modes. A FEM of a mistuned bladed disk is also used to verify the AMM predictions for several different forcing configurations, and both results show a very good quantitative agreement.

Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: A quantum-mechanical study

NASA Astrophysics Data System (ADS)

de Lara-Castells, M. P.; Hernández, Marta I.; Delgado-Barrio, G.; Villarreal, P.; López-Puertas, M.

2006-04-01

The CO2(010)-O(3P) vibrational energy transfer (VET) efficiency is a key input to aeronomical models of the energy budget of the upper atmospheres of Earth, Venus, and Mars. This work addresses the physical mechanisms responsible for the high efficiency of the VET process at the thermal energies existing in the terrestrial upper atmosphere (150 K<=T<=550 K). We present a quantum-mechanical study of the process within a reduced-dimensionality approach. In this model, all the particles remain along a plane and the O(3P) atom collides along the C2v symmetry axis of CO2, which can present bending oscillations around the linear arrangement, while the stretching C-O coordinates are kept fixed at their equilibrium values. Two kinds of scattering calculations are performed on high-quality ab initio potential energy surfaces (PESs). In the first approach, the calculations are carried out separately for each one of the three PESs correlating to O(3P). In the second approach, nonadiabatic effects induced by spin-orbit couplings (SOC) are also accounted for. The results presented here provide an explanation to some of the questions raised by the experiments and aeronomical observations. At thermal energies, nonadiabatic transitions induced by SOC play a key role in causing large VET efficiencies, the process being highly sensitive to the initial fine-structure level of oxygen. At higher energies, the two above-mentioned approaches tend to coincide towards an impulsive Landau-Teller mechanism of the vibrational to translational (V-T) energy transfer.

a Diatomic Molecule with Extremely Large Amplitude Motion in its Vibrational States that have Lengths of at Least 12,000 Angstroms.

NASA Astrophysics Data System (ADS)

Dattani, Nikesh S.

2016-06-01

The state-of-the-art empirical potential, and the state-of-the-art ab initio potential for the b(1^3Π2_u) state of 7,7Li_2 agree with each other that the (v=100,J=0) ro-vibrational state has an outer classical turning point larger than the diameter of most bacteria and many animal cells. The 2015 empirical potential based on a significant amount of spectroscopic data, predicts the (v=100,J=0) level to be bound by only 0.000 000 000 004 cm-1 (<0.2 Hz). The outer turning point of the vibrational wavefunction is about 671 000 Å or 0.07 mm. Here, the two Li atoms are bound to each other, despite being nearly as far apart as the lines on a macroscopic ruler. The 2014 ab initio calculation based on a powerful Fock space MRCC method and with the long-range tail anchored by C_3^7{Li}/r^3 with the ultra-high precision 2015 value of C_3^7{Li}, has this same level bound by 0.000 000 000 1 cm-1 (<3 Hz), with an outer turning point of >0.01 mm. While this discovery occurred during a study of Li_2, the b(1^3Π2_u) states of heavier alkali diatomics are expected to have even larger amplitude vibrational states. While it might be tempting to call these very large molecules ``Rydberg molecules", it is important to remember that this term is already used to describe highly excited electronic states whose energy levels follow a formula similar to that for the famous Rydberg series. The highly delocalized vibrational states are a truly unfamiliar phenomenon. Dattani (2015) http://arxiv.org/abs/1508.07184v1 Musial & Kucharski (2014) Journal of Chemical Theory and Computation, 10, 1200

Experimental Analysis of Steady-State Maneuvering Effects on Transmission Vibration Patterns Recorded in an AH-1 Cobra Helicopter

NASA Technical Reports Server (NTRS)

Huff, Edward M.; Dzwonczyk, Mark; Norvig, Peter (Technical Monitor)

2000-01-01

Flight experiment was designed primarily to determine the extent to which steady-state maneuvers influence characteristic vibration patterns measured at the input pinion and output annulus gear locations of the main transmission. If results were to indicate that maneuvers systematically influence vibration patterns, more extensive studies would be planned to explore the response surface. It was also designed to collect baseline data for comparison with experimental data to be recorded at a later date from test stands at Glenn Research Center. Finally, because this was the first vibration flight study on the Cobra aircraft, considerable energy was invested in developing an in-flight recording apparatus, as well as exploring acceleration mounting methods, and generally learning about the overall vibratory characteristics of the aircraft itself.

Anharmonic frequencies of CX2Y2 (X, Y = O, N, F, H, D) isomers and related systems obtained from vibrational multiconfiguration self-consistent field theory.

PubMed

Pfeiffer, Florian; Rauhut, Guntram

2011-10-13

Accurate anharmonic frequencies are provided for molecules of current research, i.e., diazirines, diazomethane, the corresponding fluorinated and deuterated compounds, their dioxygen analogs, and others. Vibrational-state energies were obtained from state-specific vibrational multiconfiguration self-consistent field theory (VMCSCF) based on multilevel potential energy surfaces (PES) generated from explicitly correlated coupled cluster, CCSD(T)-F12a, and double-hybrid density functional calculations, B2PLYP. To accelerate the vibrational structure calculations, a configuration selection scheme as well as a polynomial representation of the PES have been exploited. Because experimental data are scarce for these systems, many calculated frequencies of this study are predictions and may guide experiments to come.

Utilizing upper hybrid resonance for high density plasma production and negative ion generation in a downstream region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sahu, Debaprasad; Bhattacharjee, Sudeep

2012-09-15

Localized wave-induced resonances are created by microwaves launched directly into a multicusp (MC) plasma device in the k Up-Tack B mode, where k is the wave vector and B is the static magnetic field. The resonance zone is identified as upper hybrid resonance (UHR), and lies r = {approx}22 mm away from the MC boundary. Measurement of radial wave electric field intensity confirms the right hand cutoff of the wave (r = 22.5-32.1 mm) located near the UHR zone. A sharp rise in the corresponding electron temperature in the resonance region by {approx}13 eV from its value away from resonancemore » at r = 0, is favorable for the generation of vibrationally excited molecules of hydrogen. A transverse magnetic filter allows cold electrons ({approx}1-2 eV) to pass into the downstream region where they generate negative ions by dissociative attachment. Measurements of electron energy distribution function (EEDF) support the viewpoint. H{sup -} current density of {approx}0.26 mA/cm{sup 2} is obtained at a wave power density of {approx}3 W/cm{sup 2} at 2.0 mTorr pressure, which agrees reasonably well with results obtained from a steady state model using particle balance equations.« less

The band systems of alkali vapors

NASA Technical Reports Server (NTRS)

Weizel, W.; Kulp, M.

1988-01-01

A number of band edges of the molecules, Na2, K2, NaK, NaCs, LiK, LiRb, LiCs, and NaRb are arranged in edge schemes. The vibrational quanta of the base terms and the upper terms can be approximately determined. Viewpoints are produced for interpreting electron terms. The terms Na2 are interpreted as terms of a photo-electron.

Using Raman Spectroscopy and Surface-Enhanced Raman Scattering to Identify Colorants in Art: An Experiment for an Upper-Division Chemistry Laboratory

ERIC Educational Resources Information Center

Mayhew, Hannah E.; Frano, Kristen A.; Svoboda, Shelley A.; Wustholz, Kristin L.

2015-01-01

Surface-enhanced Raman scattering (SERS) studies of art represent an attractive way to introduce undergraduate students to concepts in nanoscience, vibrational spectroscopy, and instrumental analysis. Here, we present an undergraduate analytical or physical chemistry laboratory wherein a combination of normal Raman and SERS spectroscopy is used to…